REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wsk_1_A DATA FIRST_RESID 4 DATA SEQUENCE LAIGKPAPLG AHYDGQGVNF TLFSAHAERV ELCVFDANGQ EHRYDLPGHS DATA SEQUENCE GDIWHGYLPD ARPGLRYGYR VHGPWQPAEG HRFNPAKLLI DPCARQIDGE DATA SEQUENCE FKDNPLLHAG HNEPDYRDNA AIAPKCVVVV DHYDWEDDAP PRTPWGSTII DATA SEQUENCE YEAHVKGLTY LHPEIPVEIR GTYKALGHPV MINYLKQLGI TALELLPVAQ DATA SEQUENCE FASEPRLQRM GLSNYWGYNP VAMFALHPAY ACSPETALDE FRDAIKALHK DATA SEQUENCE AGIEVILDIV LNHSAELDLD GPLFSLRGID NRSYYWIRED GDYHNWTGCG DATA SEQUENCE NTLNLSHPAV VDYASACLRY WVETCHVDGF RFDLAAVMGR TPEFRQDAPL DATA SEQUENCE FTAIQNCPVL SQVKLIAEPW DIAPGGYQVG NFPPLFAEWN DHFRDAARRF DATA SEQUENCE WLHYDLPLGA FAGRFAASSD VFKRNGRLPS AAINLVTAHD GFTLRDCVCF DATA SEQUENCE NHKHNEANGE ENRDGTNNNY SNNHGKEGLG GSLDLVERRR DSIHALLTTL DATA SEQUENCE LLSQGTPMLL AGDEHGHSQH GNNNAYCQDN QLTWLDWSQA SSGLTAFTAA DATA SEQUENCE LIHLRKRIPA LVENRWWEEG DGNVRWLNRY AQPLSTDEWQ NGPKQLQILL DATA SEQUENCE SDRFLIAINA TLEVTEIVLP AGEWHAIPPF AGEDNPVITA VWQGPAHGLC DATA SEQUENCE VFQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.912 176.870 0.070 0.000 1.165 4 L CA 0.000 54.825 54.840 -0.026 0.000 0.813 4 L CB 0.000 42.062 42.059 0.004 0.000 0.961 5 A N 2.087 124.988 122.820 0.135 0.000 2.327 5 A HA 0.345 4.762 4.320 0.162 0.000 0.255 5 A C 0.948 178.646 177.584 0.191 0.000 1.099 5 A CA 0.251 52.392 52.037 0.173 0.000 0.801 5 A CB 0.407 19.567 19.000 0.266 0.000 1.062 5 A HN 0.860 nan 8.150 nan 0.000 0.496 6 I N -0.171 120.495 120.570 0.159 0.000 2.286 6 I HA 0.189 4.456 4.170 0.162 0.000 0.245 6 I C 1.299 177.608 176.117 0.320 0.000 1.104 6 I CA 1.762 63.175 61.300 0.190 0.000 1.397 6 I CB -0.396 37.689 38.000 0.142 0.000 1.072 6 I HN 1.141 nan 8.210 nan 0.000 0.417 7 G N 1.198 110.137 108.800 0.231 0.000 2.598 7 G HA2 -0.292 3.765 3.960 0.162 0.000 0.244 7 G HA3 -0.292 3.765 3.960 0.162 0.000 0.244 7 G C -0.466 174.472 174.900 0.063 0.000 1.302 7 G CA 0.034 45.261 45.100 0.211 0.000 0.903 7 G HN 0.497 nan 8.290 nan 0.000 0.575 8 K N 0.908 121.268 120.400 -0.066 0.000 2.435 8 K HA 0.533 4.950 4.320 0.162 0.000 0.251 8 K C -2.164 174.097 176.600 -0.566 0.000 0.954 8 K CA -1.425 54.658 56.287 -0.340 0.000 0.820 8 K CB 3.204 35.603 32.500 -0.168 0.000 1.292 8 K HN 0.304 nan 8.250 nan 0.000 0.436 9 P HA 0.068 nan 4.420 nan 0.000 0.258 9 P C -0.993 176.262 177.300 -0.076 0.000 1.403 9 P CA 0.340 63.231 63.100 -0.348 0.000 0.826 9 P CB 0.244 31.821 31.700 -0.205 0.000 1.414 10 A N 0.150 122.919 122.820 -0.085 0.000 2.569 10 A HA 0.600 5.017 4.320 0.162 0.000 0.292 10 A C -3.036 174.491 177.584 -0.095 0.000 1.032 10 A CA -1.067 50.940 52.037 -0.051 0.000 0.669 10 A CB 0.393 19.366 19.000 -0.046 0.000 1.290 10 A HN -0.119 nan 8.150 nan 0.000 0.422 11 P HA 0.457 nan 4.420 nan 0.000 0.277 11 P C -0.498 176.757 177.300 -0.076 0.000 1.276 11 P CA -0.377 62.621 63.100 -0.171 0.000 0.788 11 P CB 0.399 31.879 31.700 -0.366 0.000 1.114 12 L N -0.167 121.053 121.223 -0.005 0.000 2.416 12 L HA 0.417 4.854 4.340 0.162 0.000 0.272 12 L C 1.177 178.116 176.870 0.115 0.000 1.161 12 L CA 1.875 56.761 54.840 0.078 0.000 0.845 12 L CB -0.716 41.391 42.059 0.079 0.000 1.119 12 L HN 0.961 nan 8.230 nan 0.000 0.464 13 G N 2.939 111.841 108.800 0.169 0.000 2.512 13 G HA2 0.191 4.248 3.960 0.162 0.000 0.210 13 G HA3 0.191 4.248 3.960 0.162 0.000 0.210 13 G C -0.902 174.151 174.900 0.255 0.000 1.295 13 G CA -0.302 44.915 45.100 0.195 0.000 0.934 13 G HN 1.188 nan 8.290 nan 0.000 0.554 14 A N 0.104 122.976 122.820 0.086 0.000 2.287 14 A HA 0.799 5.216 4.320 0.162 0.000 0.317 14 A C -0.631 176.760 177.584 -0.322 0.000 1.220 14 A CA -0.118 51.777 52.037 -0.238 0.000 0.835 14 A CB 0.911 19.601 19.000 -0.518 0.000 1.180 14 A HN 1.220 nan 8.150 nan 0.000 0.500 15 H N 0.577 119.497 119.070 -0.251 0.000 2.689 15 H HA 0.411 5.064 4.556 0.161 0.000 0.346 15 H C -1.186 174.107 175.328 -0.059 0.000 1.037 15 H CA -0.335 55.652 56.048 -0.103 0.000 1.234 15 H CB 1.125 30.866 29.762 -0.036 0.000 1.572 15 H HN 0.686 nan 8.280 nan 0.000 0.524 16 Y N 2.766 123.019 120.300 -0.078 0.000 2.309 16 Y HA 0.220 4.867 4.550 0.161 0.000 0.327 16 Y C 0.210 176.138 175.900 0.046 0.000 1.172 16 Y CA -0.681 57.386 58.100 -0.055 0.000 1.280 16 Y CB 0.910 39.326 38.460 -0.074 0.000 1.234 16 Y HN 0.776 nan 8.280 nan 0.000 0.512 17 D N 1.786 121.894 120.400 -0.486 0.000 2.620 17 D HA 0.242 4.979 4.640 0.162 0.000 0.260 17 D C 1.206 177.178 176.300 -0.547 0.000 1.367 17 D CA 0.268 54.050 54.000 -0.363 0.000 0.805 17 D CB 0.076 40.827 40.800 -0.081 0.000 1.096 17 D HN 0.894 nan 8.370 nan 0.000 0.488 18 G N 1.021 109.048 108.800 -1.290 0.000 2.299 18 G HA2 -0.371 3.686 3.960 0.162 0.000 0.237 18 G HA3 -0.371 3.686 3.960 0.162 0.000 0.237 18 G C 0.775 175.515 174.900 -0.267 0.000 1.027 18 G CA 0.398 45.095 45.100 -0.672 0.000 0.619 18 G HN 0.496 nan 8.290 nan 0.000 0.513 19 Q N 0.085 119.785 119.800 -0.166 0.000 2.139 19 Q HA 0.507 4.944 4.340 0.162 0.000 0.219 19 Q C 0.737 176.838 176.000 0.168 0.000 0.805 19 Q CA 1.041 56.883 55.803 0.065 0.000 1.024 19 Q CB 0.695 29.484 28.738 0.085 0.000 1.163 19 Q HN 1.600 nan 8.270 nan 0.000 0.485 20 G N -0.661 108.198 108.800 0.098 0.000 2.356 20 G HA2 0.187 4.244 3.960 0.162 0.000 0.288 20 G HA3 0.187 4.244 3.960 0.162 0.000 0.288 20 G C -1.901 172.905 174.900 -0.156 0.000 1.302 20 G CA -0.526 44.511 45.100 -0.105 0.000 0.887 20 G HN -0.020 nan 8.290 nan 0.000 0.521 21 V N 0.409 120.054 119.914 -0.448 0.000 2.604 21 V HA 0.634 4.851 4.120 0.162 0.000 0.305 21 V C -0.247 175.570 176.094 -0.462 0.000 1.043 21 V CA -0.964 61.116 62.300 -0.368 0.000 0.888 21 V CB 1.891 33.423 31.823 -0.485 0.000 0.995 21 V HN 0.783 nan 8.190 nan 0.000 0.429 22 N N 2.724 121.310 118.700 -0.189 0.000 2.437 22 N HA 0.539 5.376 4.740 0.162 0.000 0.259 22 N C -1.345 174.099 175.510 -0.110 0.000 0.983 22 N CA -0.235 52.868 53.050 0.088 0.000 0.937 22 N CB 0.523 39.147 38.487 0.228 0.000 1.122 22 N HN 0.430 nan 8.380 nan 0.000 0.499 23 F N 1.423 121.481 119.950 0.179 0.000 2.420 23 F HA 0.424 5.048 4.527 0.162 0.000 0.342 23 F C 0.800 176.777 175.800 0.295 0.000 1.113 23 F CA -0.467 57.671 58.000 0.231 0.000 1.059 23 F CB 1.936 41.086 39.000 0.250 0.000 1.128 23 F HN 0.178 nan 8.300 nan 0.000 0.475 24 T N 4.372 119.194 114.554 0.445 0.000 2.876 24 T HA 0.726 5.173 4.350 0.162 0.000 0.289 24 T C -1.717 173.175 174.700 0.320 0.000 1.014 24 T CA -0.548 61.766 62.100 0.358 0.000 0.986 24 T CB 1.549 70.567 68.868 0.251 0.000 1.021 24 T HN 0.435 nan 8.240 nan 0.000 0.458 25 L N 3.802 125.190 121.223 0.275 0.000 2.588 25 L HA 0.620 5.057 4.340 0.162 0.000 0.263 25 L C -1.542 175.512 176.870 0.307 0.000 0.935 25 L CA -0.740 54.209 54.840 0.182 0.000 0.891 25 L CB 1.392 43.332 42.059 -0.199 0.000 1.318 25 L HN 0.661 nan 8.230 nan 0.000 0.409 26 F N 4.560 124.635 119.950 0.209 0.000 2.384 26 F HA 0.762 5.385 4.527 0.160 0.000 0.338 26 F C 0.018 175.953 175.800 0.224 0.000 1.103 26 F CA 0.320 58.455 58.000 0.226 0.000 1.157 26 F CB 1.355 40.434 39.000 0.132 0.000 1.167 26 F HN 0.543 nan 8.300 nan 0.000 0.529 27 S N 3.800 118.845 115.700 -1.093 0.000 2.482 27 S HA 0.515 5.082 4.470 0.162 0.000 0.295 27 S C -0.012 174.297 174.600 -0.486 0.000 1.038 27 S CA -0.102 57.562 58.200 -0.893 0.000 0.968 27 S CB 0.360 63.387 63.200 -0.289 0.000 1.182 27 S HN 1.161 nan 8.310 nan 0.000 0.441 28 A N 3.219 125.684 122.820 -0.592 0.000 2.021 28 A HA 0.165 4.582 4.320 0.162 0.000 0.216 28 A C 1.038 178.451 177.584 -0.285 0.000 1.163 28 A CA 1.150 53.029 52.037 -0.263 0.000 0.676 28 A CB -0.451 18.426 19.000 -0.206 0.000 0.818 28 A HN 0.912 nan 8.150 nan 0.000 0.453 29 H N -1.012 118.113 119.070 0.092 0.000 2.652 29 H HA 0.564 5.220 4.556 0.167 0.000 0.274 29 H C 0.799 175.942 175.328 -0.308 0.000 1.021 29 H CA 0.086 56.163 56.048 0.050 0.000 1.187 29 H CB 0.268 30.171 29.762 0.234 0.000 1.505 29 H HN 0.473 nan 8.280 nan 0.000 0.530 30 A N 0.861 123.528 122.820 -0.256 0.000 2.407 30 A HA 0.096 4.513 4.320 0.162 0.000 0.248 30 A C 0.785 178.082 177.584 -0.478 0.000 1.082 30 A CA -0.200 51.406 52.037 -0.718 0.000 0.785 30 A CB 0.507 19.082 19.000 -0.709 0.000 1.020 30 A HN 0.544 nan 8.150 nan 0.000 0.489 31 E N -0.120 119.758 120.200 -0.536 0.000 2.364 31 E HA 0.131 4.579 4.350 0.162 0.000 0.196 31 E C 0.543 176.969 176.600 -0.290 0.000 0.990 31 E CA 0.290 56.535 56.400 -0.259 0.000 0.886 31 E CB 0.395 29.974 29.700 -0.203 0.000 0.866 31 E HN 0.621 nan 8.360 nan 0.000 0.493 32 R N 0.049 120.216 120.500 -0.555 0.000 2.664 32 R HA 0.307 4.744 4.340 0.162 0.000 0.260 32 R C -2.164 173.794 176.300 -0.570 0.000 1.062 32 R CA -0.390 55.389 56.100 -0.536 0.000 0.902 32 R CB 1.593 31.689 30.300 -0.341 0.000 1.258 32 R HN -0.128 nan 8.270 nan 0.000 0.465 33 V N 2.893 122.479 119.914 -0.546 0.000 2.531 33 V HA 0.417 4.634 4.120 0.162 0.000 0.301 33 V C -0.697 175.366 176.094 -0.051 0.000 1.034 33 V CA -0.694 61.395 62.300 -0.352 0.000 0.865 33 V CB 1.799 33.285 31.823 -0.562 0.000 0.995 33 V HN 0.744 nan 8.190 nan 0.000 0.424 34 E N 3.547 123.796 120.200 0.083 0.000 2.129 34 E HA 0.387 4.834 4.350 0.162 0.000 0.268 34 E C -0.905 175.824 176.600 0.215 0.000 0.900 34 E CA -0.884 55.593 56.400 0.130 0.000 0.755 34 E CB 2.255 32.030 29.700 0.124 0.000 1.117 34 E HN 0.526 nan 8.360 nan 0.000 0.410 35 L N 3.646 124.990 121.223 0.202 0.000 2.410 35 L HA 0.141 4.578 4.340 0.162 0.000 0.273 35 L C -1.075 175.785 176.870 -0.018 0.000 1.152 35 L CA -0.070 54.829 54.840 0.099 0.000 0.855 35 L CB 0.399 42.417 42.059 -0.068 0.000 1.129 35 L HN 0.586 nan 8.230 nan 0.000 0.463 36 C N 5.477 124.722 119.300 -0.091 0.000 2.301 36 C HA 0.661 5.218 4.460 0.162 0.000 0.323 36 C C -0.025 174.854 174.990 -0.184 0.000 1.265 36 C CA -0.956 57.960 59.018 -0.170 0.000 1.503 36 C CB 0.594 28.260 27.740 -0.125 0.000 2.195 36 C HN 0.647 nan 8.230 nan 0.000 0.477 37 V N 3.398 123.155 119.914 -0.262 0.000 2.630 37 V HA 0.630 4.847 4.120 0.162 0.000 0.305 37 V C -0.612 175.255 176.094 -0.377 0.000 1.046 37 V CA -0.450 61.788 62.300 -0.103 0.000 0.934 37 V CB 1.639 33.514 31.823 0.086 0.000 1.003 37 V HN 0.657 nan 8.190 nan 0.000 0.451 38 F N 2.003 122.019 119.950 0.111 0.000 2.507 38 F HA 0.534 5.158 4.527 0.160 0.000 0.325 38 F C 0.239 176.103 175.800 0.107 0.000 1.116 38 F CA -1.131 56.932 58.000 0.106 0.000 0.930 38 F CB 1.404 40.431 39.000 0.045 0.000 1.146 38 F HN 0.685 nan 8.300 nan 0.000 0.447 39 D N 1.229 121.790 120.400 0.268 0.000 2.478 39 D HA 0.432 5.169 4.640 0.162 0.000 0.269 39 D C 1.026 177.414 176.300 0.147 0.000 1.232 39 D CA -0.535 53.570 54.000 0.174 0.000 1.059 39 D CB 0.463 41.364 40.800 0.168 0.000 1.104 39 D HN 0.496 nan 8.370 nan 0.000 0.566 40 A N -0.592 122.284 122.820 0.094 0.000 2.178 40 A HA -0.151 4.266 4.320 0.162 0.000 0.218 40 A C 1.332 178.954 177.584 0.063 0.000 1.157 40 A CA 0.913 52.990 52.037 0.066 0.000 0.689 40 A CB -1.031 17.995 19.000 0.044 0.000 0.787 40 A HN 0.644 nan 8.150 nan 0.000 0.465 41 N N -1.191 117.556 118.700 0.078 0.000 2.270 41 N HA 0.276 5.113 4.740 0.162 0.000 0.198 41 N C 0.999 176.553 175.510 0.073 0.000 1.117 41 N CA 0.283 53.370 53.050 0.062 0.000 0.845 41 N CB 0.311 38.832 38.487 0.055 0.000 0.980 41 N HN 0.529 nan 8.380 nan 0.000 0.486 42 G N 1.172 110.038 108.800 0.111 0.000 2.184 42 G HA2 -0.334 3.723 3.960 0.162 0.000 0.264 42 G HA3 -0.334 3.723 3.960 0.162 0.000 0.264 42 G C 0.246 175.262 174.900 0.194 0.000 0.975 42 G CA 0.132 45.323 45.100 0.152 0.000 0.642 42 G HN 0.334 nan 8.290 nan 0.000 0.536 43 Q N 0.946 120.814 119.800 0.113 0.000 2.337 43 Q HA 0.502 4.939 4.340 0.162 0.000 0.270 43 Q C 0.326 176.262 176.000 -0.107 0.000 1.002 43 Q CA 0.281 56.080 55.803 -0.007 0.000 0.888 43 Q CB 0.530 29.248 28.738 -0.034 0.000 1.222 43 Q HN 0.574 nan 8.270 nan 0.000 0.400 44 E N 2.632 122.654 120.200 -0.297 0.000 2.197 44 E HA 0.212 4.659 4.350 0.162 0.000 0.281 44 E C -1.149 175.038 176.600 -0.689 0.000 0.995 44 E CA -0.594 55.466 56.400 -0.567 0.000 0.808 44 E CB 0.506 29.902 29.700 -0.507 0.000 1.093 44 E HN 0.649 nan 8.360 nan 0.000 0.394 45 H N 2.798 121.588 119.070 -0.466 0.000 2.505 45 H HA 0.438 5.091 4.556 0.162 0.000 0.338 45 H C -0.767 174.170 175.328 -0.651 0.000 1.057 45 H CA -0.696 55.069 56.048 -0.471 0.000 1.202 45 H CB 1.300 30.855 29.762 -0.344 0.000 1.466 45 H HN 0.328 nan 8.280 nan 0.000 0.499 46 R N 2.387 122.513 120.500 -0.623 0.000 2.637 46 R HA 0.520 4.957 4.340 0.162 0.000 0.291 46 R C -1.291 174.580 176.300 -0.715 0.000 0.963 46 R CA -0.811 54.965 56.100 -0.541 0.000 0.901 46 R CB 1.512 31.649 30.300 -0.271 0.000 1.160 46 R HN 0.568 nan 8.270 nan 0.000 0.457 47 Y N 0.060 120.339 120.300 -0.035 0.000 2.433 47 Y HA 0.233 4.880 4.550 0.162 0.000 0.337 47 Y C -0.483 175.416 175.900 -0.002 0.000 1.026 47 Y CA -1.352 56.736 58.100 -0.020 0.000 1.037 47 Y CB 1.677 40.119 38.460 -0.030 0.000 1.245 47 Y HN 0.439 nan 8.280 nan 0.000 0.443 48 D N 2.440 122.923 120.400 0.139 0.000 2.399 48 D HA 0.182 4.919 4.640 0.162 0.000 0.241 48 D C -0.351 176.028 176.300 0.131 0.000 1.133 48 D CA 0.099 54.153 54.000 0.091 0.000 0.890 48 D CB 1.032 41.861 40.800 0.048 0.000 1.201 48 D HN 0.454 nan 8.370 nan 0.000 0.432 49 L N 3.008 124.314 121.223 0.137 0.000 2.325 49 L HA 0.259 4.696 4.340 0.162 0.000 0.284 49 L C -0.938 176.016 176.870 0.140 0.000 1.089 49 L CA -1.036 53.905 54.840 0.169 0.000 0.836 49 L CB 0.957 43.147 42.059 0.218 0.000 1.184 49 L HN 0.335 nan 8.230 nan 0.000 0.444 50 P HA -0.108 nan 4.420 nan 0.000 0.215 50 P C 0.807 178.086 177.300 -0.035 0.000 1.157 50 P CA 1.413 64.547 63.100 0.057 0.000 0.874 50 P CB 0.014 nan 31.700 nan 0.000 0.790 51 G N -2.253 106.436 108.800 -0.185 0.000 2.544 51 G HA2 0.382 4.439 3.960 0.162 0.000 0.242 51 G HA3 0.382 4.439 3.960 0.162 0.000 0.242 51 G C -0.271 174.255 174.900 -0.623 0.000 1.247 51 G CA 0.263 44.921 45.100 -0.736 0.000 0.840 51 G HN 0.656 nan 8.290 nan 0.000 0.578 52 H N 0.493 119.153 119.070 -0.683 0.000 2.838 52 H HA 0.226 4.879 4.556 0.162 0.000 0.234 52 H C -0.733 174.353 175.328 -0.404 0.000 1.397 52 H CA -0.533 55.101 56.048 -0.691 0.000 1.470 52 H CB 0.075 29.311 29.762 -0.875 0.000 1.974 52 H HN 0.430 nan 8.280 nan 0.000 0.625 53 S N 1.781 117.425 115.700 -0.094 0.000 2.411 53 S HA 0.446 5.013 4.470 0.162 0.000 0.294 53 S C 1.088 175.609 174.600 -0.132 0.000 1.115 53 S CA 0.234 58.396 58.200 -0.063 0.000 1.071 53 S CB 1.311 64.590 63.200 0.133 0.000 0.967 53 S HN 0.985 nan 8.310 nan 0.000 0.488 54 G N 3.861 112.511 108.800 -0.249 0.000 2.561 54 G HA2 -0.271 3.786 3.960 0.162 0.000 0.289 54 G HA3 -0.271 3.786 3.960 0.162 0.000 0.289 54 G C -0.126 174.664 174.900 -0.184 0.000 1.169 54 G CA 0.371 45.366 45.100 -0.175 0.000 0.980 54 G HN 0.609 nan 8.290 nan 0.000 0.550 55 D N 1.163 121.574 120.400 0.019 0.000 2.388 55 D HA 0.351 5.088 4.640 0.162 0.000 0.221 55 D C 0.590 177.013 176.300 0.205 0.000 1.133 55 D CA 0.208 54.284 54.000 0.128 0.000 0.831 55 D CB 0.138 41.131 40.800 0.321 0.000 0.962 55 D HN 0.410 nan 8.370 nan 0.000 0.502 56 I N 0.662 121.313 120.570 0.134 0.000 2.362 56 I HA 0.269 4.536 4.170 0.162 0.000 0.289 56 I C -0.604 175.596 176.117 0.138 0.000 0.994 56 I CA -0.872 60.572 61.300 0.239 0.000 1.158 56 I CB 1.192 39.348 38.000 0.260 0.000 1.315 56 I HN -0.245 nan 8.210 nan 0.000 0.451 57 W N 5.604 126.992 121.300 0.147 0.000 2.390 57 W HA 0.473 5.231 4.660 0.164 0.000 0.312 57 W C 0.104 176.699 176.519 0.127 0.000 1.123 57 W CA -0.068 57.294 57.345 0.028 0.000 1.202 57 W CB 0.662 30.052 29.460 -0.117 0.000 1.251 57 W HN 0.511 nan 8.180 nan 0.000 0.511 58 H N 0.267 119.502 119.070 0.274 0.000 2.985 58 H HA 0.949 5.602 4.556 0.162 0.000 0.360 58 H C -0.263 175.217 175.328 0.253 0.000 1.221 58 H CA -1.425 54.777 56.048 0.256 0.000 1.121 58 H CB 1.682 31.560 29.762 0.192 0.000 1.854 58 H HN 0.624 nan 8.280 nan 0.000 0.551 59 G N -0.697 108.377 108.800 0.457 0.000 2.576 59 G HA2 0.391 4.448 3.960 0.162 0.000 0.290 59 G HA3 0.391 4.448 3.960 0.162 0.000 0.290 59 G C -2.479 172.690 174.900 0.448 0.000 1.442 59 G CA -0.975 44.351 45.100 0.376 0.000 0.792 59 G HN 0.676 nan 8.290 nan 0.000 0.491 60 Y N 0.380 120.810 120.300 0.217 0.000 2.373 60 Y HA 0.684 5.331 4.550 0.162 0.000 0.336 60 Y C -1.213 174.766 175.900 0.132 0.000 0.979 60 Y CA -1.176 57.034 58.100 0.184 0.000 1.080 60 Y CB 2.118 40.642 38.460 0.108 0.000 1.190 60 Y HN 0.540 nan 8.280 nan 0.000 0.446 61 L N 9.940 130.956 121.223 -0.344 0.000 2.283 61 L HA 0.575 5.012 4.340 0.162 0.000 0.281 61 L C -2.519 174.075 176.870 -0.459 0.000 1.033 61 L CA -2.614 52.057 54.840 -0.281 0.000 0.848 61 L CB 0.737 42.735 42.059 -0.102 0.000 1.226 61 L HN 0.417 nan 8.230 nan 0.000 0.429 62 P HA 0.096 nan 4.420 nan 0.000 0.267 62 P C -0.653 176.624 177.300 -0.038 0.000 1.205 62 P CA 0.381 63.466 63.100 -0.025 0.000 0.765 62 P CB 0.696 32.477 31.700 0.136 0.000 0.828 63 D N -0.868 119.540 120.400 0.015 0.000 3.099 63 D HA -0.146 4.591 4.640 0.162 0.000 0.213 63 D C 0.196 176.513 176.300 0.030 0.000 1.121 63 D CA 1.127 55.154 54.000 0.045 0.000 0.951 63 D CB -1.608 39.208 40.800 0.027 0.000 1.102 63 D HN 0.589 nan 8.370 nan 0.000 0.423 64 A N 0.518 123.339 122.820 0.002 0.000 2.362 64 A HA 0.547 4.964 4.320 0.162 0.000 0.276 64 A C 0.476 178.062 177.584 0.004 0.000 1.153 64 A CA 0.079 52.114 52.037 -0.003 0.000 0.813 64 A CB 0.666 19.663 19.000 -0.005 0.000 1.081 64 A HN 0.132 nan 8.150 nan 0.000 0.507 65 R N 2.138 122.580 120.500 -0.097 0.000 2.668 65 R HA 0.553 4.990 4.340 0.162 0.000 0.279 65 R C -2.791 173.290 176.300 -0.365 0.000 0.976 65 R CA -1.932 53.980 56.100 -0.315 0.000 0.978 65 R CB 0.970 31.160 30.300 -0.184 0.000 1.133 65 R HN 0.413 nan 8.270 nan 0.000 0.484 66 P HA 0.063 nan 4.420 nan 0.000 0.265 66 P C 0.036 177.232 177.300 -0.174 0.000 1.187 66 P CA 1.110 64.001 63.100 -0.349 0.000 0.766 66 P CB 0.671 32.147 31.700 -0.373 0.000 0.820 67 G N 1.342 110.088 108.800 -0.090 0.000 2.179 67 G HA2 -0.210 3.847 3.960 0.162 0.000 0.220 67 G HA3 -0.210 3.847 3.960 0.162 0.000 0.220 67 G C -0.247 174.660 174.900 0.013 0.000 0.990 67 G CA -0.406 44.672 45.100 -0.036 0.000 0.646 67 G HN 0.593 nan 8.290 nan 0.000 0.517 68 L N 1.870 123.110 121.223 0.029 0.000 2.418 68 L HA 0.755 5.192 4.340 0.162 0.000 0.274 68 L C 0.630 177.636 176.870 0.227 0.000 1.135 68 L CA -0.759 54.144 54.840 0.104 0.000 0.870 68 L CB 0.334 42.445 42.059 0.087 0.000 1.154 68 L HN 0.176 nan 8.230 nan 0.000 0.462 69 R N 4.834 125.469 120.500 0.224 0.000 2.340 69 R HA 0.501 4.938 4.340 0.162 0.000 0.300 69 R C -1.038 175.535 176.300 0.455 0.000 1.069 69 R CA 0.057 56.300 56.100 0.240 0.000 0.984 69 R CB 0.581 30.937 30.300 0.094 0.000 1.003 69 R HN 0.657 nan 8.270 nan 0.000 0.459 70 Y N -1.219 119.177 120.300 0.160 0.000 2.705 70 Y HA 0.875 5.523 4.550 0.163 0.000 0.332 70 Y C -0.324 175.619 175.900 0.072 0.000 1.221 70 Y CA -1.499 56.697 58.100 0.159 0.000 1.059 70 Y CB 1.034 39.493 38.460 -0.001 0.000 1.298 70 Y HN 0.636 nan 8.280 nan 0.000 0.459 71 G N -0.260 108.538 108.800 -0.004 0.000 2.600 71 G HA2 0.529 4.586 3.960 0.162 0.000 0.293 71 G HA3 0.529 4.586 3.960 0.162 0.000 0.293 71 G C -2.704 172.062 174.900 -0.223 0.000 1.408 71 G CA -0.997 44.007 45.100 -0.161 0.000 0.782 71 G HN 0.569 nan 8.290 nan 0.000 0.482 72 Y N -0.678 119.688 120.300 0.110 0.000 2.524 72 Y HA 0.817 5.463 4.550 0.161 0.000 0.344 72 Y C 0.395 176.322 175.900 0.045 0.000 1.012 72 Y CA -1.009 57.141 58.100 0.084 0.000 1.068 72 Y CB 2.662 41.177 38.460 0.091 0.000 1.249 72 Y HN 0.478 nan 8.280 nan 0.000 0.468 73 R N 1.068 121.700 120.500 0.220 0.000 2.473 73 R HA 0.697 5.134 4.340 0.162 0.000 0.303 73 R C -2.089 174.210 176.300 -0.001 0.000 1.002 73 R CA -0.440 55.696 56.100 0.060 0.000 0.884 73 R CB 1.260 31.579 30.300 0.031 0.000 1.173 73 R HN 0.477 nan 8.270 nan 0.000 0.464 74 V N 4.251 124.131 119.914 -0.056 0.000 2.384 74 V HA 0.378 4.595 4.120 0.162 0.000 0.287 74 V C -0.452 175.562 176.094 -0.133 0.000 1.020 74 V CA -0.955 61.307 62.300 -0.063 0.000 0.850 74 V CB 1.388 33.246 31.823 0.058 0.000 0.987 74 V HN 0.750 nan 8.190 nan 0.000 0.436 75 H N 2.074 121.046 119.070 -0.164 0.000 2.472 75 H HA 0.885 5.540 4.556 0.164 0.000 0.335 75 H C 0.579 175.658 175.328 -0.416 0.000 1.136 75 H CA 0.490 56.440 56.048 -0.162 0.000 1.264 75 H CB 1.800 31.465 29.762 -0.162 0.000 1.486 75 H HN 1.034 nan 8.280 nan 0.000 0.517 76 G N 0.879 109.549 108.800 -0.216 0.000 2.320 76 G HA2 0.190 4.247 3.960 0.162 0.000 0.296 76 G HA3 0.190 4.247 3.960 0.162 0.000 0.296 76 G C -3.032 171.844 174.900 -0.040 0.000 1.306 76 G CA -1.195 43.569 45.100 -0.559 0.000 0.836 76 G HN 0.512 nan 8.290 nan 0.000 0.517 77 P HA 0.141 nan 4.420 nan 0.000 0.271 77 P C -0.651 176.876 177.300 0.379 0.000 1.216 77 P CA -0.037 63.159 63.100 0.161 0.000 0.771 77 P CB 0.932 32.619 31.700 -0.022 0.000 0.864 78 W N 5.626 127.010 121.300 0.140 0.000 2.243 78 W HA 0.253 5.002 4.660 0.149 0.000 0.331 78 W C -1.208 175.363 176.519 0.088 0.000 0.895 78 W CA -0.470 56.941 57.345 0.110 0.000 1.580 78 W CB 0.598 30.098 29.460 0.066 0.000 1.568 78 W HN 0.410 nan 8.180 nan 0.000 0.372 79 Q N 4.725 124.430 119.800 -0.159 0.000 2.560 79 Q HA 0.172 4.609 4.340 0.162 0.000 0.238 79 Q C -1.434 174.350 176.000 -0.360 0.000 1.079 79 Q CA -1.204 54.502 55.803 -0.163 0.000 0.866 79 Q CB 2.122 30.886 28.738 0.044 0.000 1.153 79 Q HN 0.229 nan 8.270 nan 0.000 0.530 80 P HA -0.260 nan 4.420 nan 0.000 0.216 80 P C 1.121 178.238 177.300 -0.306 0.000 1.157 80 P CA 2.302 65.127 63.100 -0.459 0.000 0.880 80 P CB 0.048 31.563 31.700 -0.308 0.000 0.791 81 A N -0.981 121.717 122.820 -0.203 0.000 2.067 81 A HA -0.108 4.309 4.320 0.162 0.000 0.219 81 A C 1.906 179.380 177.584 -0.183 0.000 1.158 81 A CA 1.876 53.817 52.037 -0.160 0.000 0.661 81 A CB -0.455 18.488 19.000 -0.094 0.000 0.801 81 A HN 0.351 nan 8.150 nan 0.000 0.452 82 E N -1.408 118.663 120.200 -0.216 0.000 2.474 82 E HA 0.223 4.670 4.350 0.162 0.000 0.195 82 E C 1.119 177.428 176.600 -0.484 0.000 1.039 82 E CA 0.600 56.832 56.400 -0.279 0.000 0.881 82 E CB -0.012 29.576 29.700 -0.187 0.000 0.970 82 E HN 0.750 nan 8.360 nan 0.000 0.486 83 G N 1.721 110.254 108.800 -0.445 0.000 2.136 83 G HA2 -0.272 3.785 3.960 0.162 0.000 0.242 83 G HA3 -0.272 3.785 3.960 0.162 0.000 0.242 83 G C -0.192 174.407 174.900 -0.501 0.000 0.989 83 G CA 0.199 45.008 45.100 -0.485 0.000 0.682 83 G HN 0.442 nan 8.290 nan 0.000 0.522 84 H N -0.127 118.746 119.070 -0.328 0.000 2.517 84 H HA 0.616 5.270 4.556 0.162 0.000 0.317 84 H C 0.834 175.893 175.328 -0.448 0.000 1.080 84 H CA -0.803 55.065 56.048 -0.300 0.000 1.301 84 H CB 0.825 30.547 29.762 -0.066 0.000 1.425 84 H HN 0.031 nan 8.280 nan 0.000 0.471 85 R N 3.742 124.018 120.500 -0.373 0.000 2.727 85 R HA 0.092 4.529 4.340 0.162 0.000 0.410 85 R C -1.014 175.295 176.300 0.014 0.000 1.101 85 R CA -0.473 55.435 56.100 -0.320 0.000 1.045 85 R CB -0.139 29.978 30.300 -0.305 0.000 1.380 85 R HN 0.452 nan 8.270 nan 0.000 0.587 86 F N 1.693 121.790 119.950 0.245 0.000 2.533 86 F HA 0.107 4.735 4.527 0.168 0.000 0.378 86 F C 1.020 176.948 175.800 0.213 0.000 1.070 86 F CA 0.400 58.505 58.000 0.176 0.000 1.172 86 F CB 0.281 39.329 39.000 0.081 0.000 1.085 86 F HN 0.020 nan 8.300 nan 0.000 0.552 87 N N 5.746 124.567 118.700 0.202 0.000 2.648 87 N HA 0.224 5.061 4.740 0.162 0.000 0.261 87 N C -2.031 173.441 175.510 -0.064 0.000 1.138 87 N CA -1.609 51.443 53.050 0.003 0.000 0.804 87 N CB 1.372 39.784 38.487 -0.125 0.000 1.237 87 N HN 0.156 nan 8.380 nan 0.000 0.532 88 P HA -0.088 nan 4.420 nan 0.000 0.231 88 P C 0.878 178.100 177.300 -0.130 0.000 1.158 88 P CA 0.583 63.521 63.100 -0.270 0.000 0.763 88 P CB 0.284 31.583 31.700 -0.669 0.000 0.805 89 A N -0.362 122.411 122.820 -0.078 0.000 2.119 89 A HA -0.028 4.389 4.320 0.162 0.000 0.217 89 A C 1.028 178.595 177.584 -0.029 0.000 1.153 89 A CA 0.911 52.928 52.037 -0.033 0.000 0.692 89 A CB -0.365 18.629 19.000 -0.010 0.000 0.799 89 A HN 0.065 nan 8.150 nan 0.000 0.458 90 K N 0.411 120.789 120.400 -0.036 0.000 2.274 90 K HA 0.408 4.825 4.320 0.162 0.000 0.262 90 K C -0.834 175.785 176.600 0.031 0.000 0.961 90 K CA -0.474 55.810 56.287 -0.005 0.000 0.833 90 K CB 1.738 34.225 32.500 -0.021 0.000 1.102 90 K HN 0.233 nan 8.250 nan 0.000 0.436 91 L N 4.470 125.729 121.223 0.061 0.000 2.455 91 L HA 0.158 4.595 4.340 0.162 0.000 0.272 91 L C -0.275 176.661 176.870 0.110 0.000 1.174 91 L CA 0.009 54.906 54.840 0.096 0.000 0.869 91 L CB 0.303 42.433 42.059 0.119 0.000 1.130 91 L HN 0.393 nan 8.230 nan 0.000 0.474 92 L N 5.221 126.522 121.223 0.130 0.000 2.322 92 L HA 0.515 4.952 4.340 0.162 0.000 0.269 92 L C -0.115 176.843 176.870 0.147 0.000 1.012 92 L CA -0.821 54.113 54.840 0.158 0.000 0.815 92 L CB 2.170 44.330 42.059 0.169 0.000 1.295 92 L HN 0.506 nan 8.230 nan 0.000 0.438 93 I N 0.552 121.213 120.570 0.152 0.000 2.566 93 I HA 0.114 4.381 4.170 0.162 0.000 0.303 93 I C -0.135 176.078 176.117 0.160 0.000 0.983 93 I CA -0.381 60.973 61.300 0.089 0.000 1.235 93 I CB 1.628 39.682 38.000 0.090 0.000 1.386 93 I HN 0.555 nan 8.210 nan 0.000 0.494 94 D N 7.661 128.136 120.400 0.125 0.000 2.358 94 D HA 0.072 4.809 4.640 0.162 0.000 0.258 94 D C -1.483 174.934 176.300 0.195 0.000 1.223 94 D CA -2.033 52.147 54.000 0.300 0.000 0.886 94 D CB 1.089 42.090 40.800 0.336 0.000 1.120 94 D HN 0.203 nan 8.370 nan 0.000 0.482 95 P HA -0.095 nan 4.420 nan 0.000 0.228 95 P C 0.540 178.017 177.300 0.294 0.000 1.151 95 P CA 0.534 63.758 63.100 0.207 0.000 0.770 95 P CB 0.173 31.918 31.700 0.075 0.000 0.786 96 C N -0.801 118.542 119.300 0.072 0.000 2.974 96 C HA 0.544 5.101 4.460 0.162 0.000 0.282 96 C C 1.374 176.171 174.990 -0.321 0.000 1.292 96 C CA -0.696 58.025 59.018 -0.496 0.000 1.710 96 C CB -1.369 26.000 27.740 -0.618 0.000 2.036 96 C HN 0.216 nan 8.230 nan 0.000 0.629 97 A N 1.078 123.889 122.820 -0.014 0.000 2.565 97 A HA 0.168 4.585 4.320 0.162 0.000 0.237 97 A C 1.237 178.826 177.584 0.010 0.000 1.053 97 A CA 0.461 52.513 52.037 0.025 0.000 0.755 97 A CB 0.226 19.238 19.000 0.020 0.000 0.980 97 A HN 0.684 nan 8.150 nan 0.000 0.506 98 R N 0.255 120.739 120.500 -0.027 0.000 2.280 98 R HA 0.094 4.531 4.340 0.162 0.000 0.195 98 R C 0.449 176.769 176.300 0.033 0.000 0.935 98 R CA 0.595 56.679 56.100 -0.027 0.000 1.033 98 R CB 0.280 30.530 30.300 -0.083 0.000 0.964 98 R HN 0.856 nan 8.270 nan 0.000 0.489 99 Q N 0.742 120.559 119.800 0.028 0.000 2.295 99 Q HA 0.291 4.728 4.340 0.162 0.000 0.268 99 Q C -1.678 174.320 176.000 -0.003 0.000 1.010 99 Q CA -0.543 55.273 55.803 0.021 0.000 0.856 99 Q CB 1.695 30.437 28.738 0.008 0.000 1.349 99 Q HN -0.063 nan 8.270 nan 0.000 0.412 100 I N 2.445 123.008 120.570 -0.010 0.000 2.562 100 I HA 0.377 4.644 4.170 0.162 0.000 0.301 100 I C -0.587 175.467 176.117 -0.104 0.000 1.003 100 I CA -0.463 60.808 61.300 -0.049 0.000 1.127 100 I CB 1.719 39.736 38.000 0.027 0.000 1.304 100 I HN 0.699 nan 8.210 nan 0.000 0.446 101 D N 3.862 124.167 120.400 -0.159 0.000 2.440 101 D HA 0.634 5.371 4.640 0.162 0.000 0.239 101 D C -0.090 176.054 176.300 -0.260 0.000 1.084 101 D CA 0.289 54.184 54.000 -0.176 0.000 0.843 101 D CB 1.240 41.950 40.800 -0.150 0.000 1.097 101 D HN 0.864 nan 8.370 nan 0.000 0.531 102 G N 2.857 111.491 108.800 -0.276 0.000 2.406 102 G HA2 0.031 4.088 3.960 0.162 0.000 0.680 102 G HA3 0.031 4.088 3.960 0.162 0.000 0.680 102 G C -1.107 173.505 174.900 -0.481 0.000 1.338 102 G CA -0.993 43.898 45.100 -0.348 0.000 0.941 102 G HN 0.417 nan 8.290 nan 0.000 0.633 103 E N -0.722 119.222 120.200 -0.427 0.000 2.212 103 E HA 0.567 5.014 4.350 0.162 0.000 0.270 103 E C -0.763 175.553 176.600 -0.474 0.000 0.956 103 E CA -0.796 55.372 56.400 -0.387 0.000 0.825 103 E CB 1.584 31.186 29.700 -0.164 0.000 1.167 103 E HN 0.281 nan 8.360 nan 0.000 0.400 104 F N 2.151 122.059 119.950 -0.069 0.000 2.606 104 F HA 0.143 4.766 4.527 0.161 0.000 0.347 104 F C 0.549 176.402 175.800 0.088 0.000 1.207 104 F CA -0.743 57.257 58.000 -0.001 0.000 1.306 104 F CB -0.138 38.802 39.000 -0.100 0.000 1.657 104 F HN 0.131 nan 8.300 nan 0.000 0.606 105 K N -0.649 119.836 120.400 0.142 0.000 2.218 105 K HA 0.210 4.627 4.320 0.162 0.000 0.276 105 K C -0.226 176.463 176.600 0.149 0.000 1.022 105 K CA -0.914 55.450 56.287 0.129 0.000 0.946 105 K CB 0.965 33.500 32.500 0.058 0.000 1.000 105 K HN 0.043 nan 8.250 nan 0.000 0.468 106 D N 1.968 122.450 120.400 0.137 0.000 2.648 106 D HA -0.110 4.627 4.640 0.162 0.000 0.229 106 D C -0.824 175.526 176.300 0.084 0.000 1.119 106 D CA 1.025 55.093 54.000 0.114 0.000 0.850 106 D CB 0.233 41.084 40.800 0.084 0.000 1.169 106 D HN 0.702 nan 8.370 nan 0.000 0.489 107 N N 3.599 122.345 118.700 0.077 0.000 2.452 107 N HA 0.141 4.978 4.740 0.162 0.000 0.277 107 N C -2.359 173.177 175.510 0.043 0.000 1.078 107 N CA -1.183 51.899 53.050 0.055 0.000 0.947 107 N CB 2.159 40.682 38.487 0.059 0.000 1.655 107 N HN 0.100 nan 8.380 nan 0.000 0.490 108 P HA -0.048 nan 4.420 nan 0.000 0.220 108 P C 1.351 178.675 177.300 0.040 0.000 1.148 108 P CA 0.746 63.864 63.100 0.029 0.000 0.803 108 P CB 0.623 32.335 31.700 0.020 0.000 0.782 109 L N -1.228 120.015 121.223 0.032 0.000 2.376 109 L HA -0.038 4.399 4.340 0.162 0.000 0.219 109 L C 2.628 179.509 176.870 0.020 0.000 1.133 109 L CA 0.521 55.376 54.840 0.024 0.000 0.816 109 L CB -0.642 41.429 42.059 0.021 0.000 0.933 109 L HN -0.068 nan 8.230 nan 0.000 0.449 110 L N -1.177 120.063 121.223 0.027 0.000 2.156 110 L HA -0.112 4.325 4.340 0.162 0.000 0.208 110 L C 1.210 178.057 176.870 -0.039 0.000 1.095 110 L CA 0.108 54.943 54.840 -0.008 0.000 0.770 110 L CB -0.488 41.555 42.059 -0.026 0.000 0.914 110 L HN 0.228 nan 8.230 nan 0.000 0.439 111 H N 0.107 119.117 119.070 -0.100 0.000 3.094 111 H HA 0.014 4.646 4.556 0.125 0.000 0.320 111 H C 0.937 176.196 175.328 -0.114 0.000 1.000 111 H CA 0.125 56.102 56.048 -0.118 0.000 1.413 111 H CB 1.121 30.823 29.762 -0.100 0.000 1.405 111 H HN 0.159 nan 8.280 nan 0.000 0.586 112 A N 3.659 126.111 122.820 -0.614 0.000 1.929 112 A HA 0.326 4.743 4.320 0.162 0.000 0.216 112 A C 1.197 178.490 177.584 -0.485 0.000 1.176 112 A CA 1.125 52.916 52.037 -0.410 0.000 0.628 112 A CB -0.570 18.315 19.000 -0.192 0.000 0.816 112 A HN 1.256 nan 8.150 nan 0.000 0.444 113 G N -3.472 104.796 108.800 -0.887 0.000 2.375 113 G HA2 0.170 4.227 3.960 0.162 0.000 0.663 113 G HA3 0.170 4.227 3.960 0.162 0.000 0.663 113 G C -0.284 174.574 174.900 -0.071 0.000 1.391 113 G CA 0.052 44.956 45.100 -0.327 0.000 0.949 113 G HN 0.395 nan 8.290 nan 0.000 0.646 114 H N 0.065 119.308 119.070 0.288 0.000 2.298 114 H HA 0.255 4.807 4.556 -0.007 0.000 0.331 114 H C 2.414 177.904 175.328 0.270 0.000 1.161 114 H CA 1.559 57.759 56.048 0.253 0.000 1.711 114 H CB 0.166 30.040 29.762 0.187 0.000 1.512 114 H HN 0.463 nan 8.280 nan 0.000 0.604 115 N N -0.168 118.759 118.700 0.378 0.000 2.424 115 N HA 0.016 4.853 4.740 0.162 0.000 0.178 115 N C -0.550 175.280 175.510 0.534 0.000 1.060 115 N CA 0.284 53.527 53.050 0.321 0.000 0.901 115 N CB 0.637 39.237 38.487 0.188 0.000 0.979 115 N HN 0.385 nan 8.380 nan 0.000 0.451 116 E N 0.950 121.375 120.200 0.374 0.000 2.248 116 E HA 0.266 4.713 4.350 0.162 0.000 0.267 116 E C -2.666 173.630 176.600 -0.507 0.000 0.877 116 E CA -2.210 54.209 56.400 0.032 0.000 0.759 116 E CB 2.293 31.970 29.700 -0.038 0.000 1.182 116 E HN -0.022 nan 8.360 nan 0.000 0.418 117 P HA -0.076 nan 4.420 nan 0.000 0.267 117 P C -0.623 175.938 177.300 -1.231 0.000 1.205 117 P CA 0.048 62.135 63.100 -1.690 0.000 0.765 117 P CB 0.752 31.343 31.700 -1.849 0.000 0.828 118 D N 2.727 122.662 120.400 -0.774 0.000 2.383 118 D HA -0.028 4.709 4.640 0.162 0.000 0.252 118 D C 0.193 176.177 176.300 -0.526 0.000 1.166 118 D CA -0.072 53.603 54.000 -0.540 0.000 0.879 118 D CB 0.440 41.090 40.800 -0.250 0.000 1.164 118 D HN 0.288 nan 8.370 nan 0.000 0.462 119 Y N 2.644 122.859 120.300 -0.141 0.000 2.546 119 Y HA 0.099 4.753 4.550 0.174 0.000 0.287 119 Y C 1.080 176.932 175.900 -0.080 0.000 1.158 119 Y CA 0.047 58.075 58.100 -0.120 0.000 1.307 119 Y CB -0.018 38.380 38.460 -0.104 0.000 1.036 119 Y HN 0.118 nan 8.280 nan 0.000 0.532 120 R N 1.674 122.199 120.500 0.041 0.000 2.449 120 R HA 0.021 4.458 4.340 0.162 0.000 0.296 120 R C -0.320 175.987 176.300 0.011 0.000 1.047 120 R CA -0.231 55.885 56.100 0.028 0.000 1.018 120 R CB 0.143 30.451 30.300 0.014 0.000 0.962 120 R HN 0.035 nan 8.270 nan 0.000 0.428 121 D N 1.906 122.317 120.400 0.018 0.000 2.389 121 D HA -0.049 4.688 4.640 0.162 0.000 0.247 121 D C 0.536 176.846 176.300 0.017 0.000 1.128 121 D CA -0.099 53.910 54.000 0.016 0.000 0.884 121 D CB 0.745 41.556 40.800 0.017 0.000 1.194 121 D HN 0.578 nan 8.370 nan 0.000 0.441 122 N N 3.000 121.712 118.700 0.021 0.000 2.184 122 N HA 0.050 4.887 4.740 0.162 0.000 0.206 122 N C 1.199 176.724 175.510 0.026 0.000 1.151 122 N CA 0.267 53.331 53.050 0.024 0.000 0.878 122 N CB -0.113 38.391 38.487 0.028 0.000 1.014 122 N HN 0.288 nan 8.380 nan 0.000 0.512 123 A N 1.243 124.089 122.820 0.044 0.000 1.927 123 A HA -0.087 4.330 4.320 0.162 0.000 0.220 123 A C 2.424 179.997 177.584 -0.018 0.000 1.185 123 A CA 2.236 54.306 52.037 0.053 0.000 0.639 123 A CB -1.162 17.936 19.000 0.162 0.000 0.820 123 A HN 0.474 nan 8.150 nan 0.000 0.451 124 A N -0.142 122.675 122.820 -0.004 0.000 1.978 124 A HA -0.056 4.361 4.320 0.162 0.000 0.220 124 A C 1.759 179.310 177.584 -0.055 0.000 1.170 124 A CA 1.730 53.750 52.037 -0.028 0.000 0.636 124 A CB -0.416 18.579 19.000 -0.009 0.000 0.810 124 A HN 1.147 nan 8.150 nan 0.000 0.448 125 I N -4.199 116.346 120.570 -0.042 0.000 4.050 125 I HA 0.539 4.806 4.170 0.162 0.000 0.327 125 I C 0.337 176.421 176.117 -0.055 0.000 1.473 125 I CA 0.057 61.328 61.300 -0.049 0.000 1.124 125 I CB -0.769 37.223 38.000 -0.013 0.000 1.129 125 I HN 0.120 nan 8.210 nan 0.000 0.428 126 A N 3.059 125.839 122.820 -0.066 0.000 2.260 126 A HA 0.763 5.180 4.320 0.162 0.000 0.308 126 A C -2.567 174.910 177.584 -0.179 0.000 1.254 126 A CA -1.236 50.772 52.037 -0.050 0.000 0.874 126 A CB -0.155 18.858 19.000 0.020 0.000 1.153 126 A HN 0.131 nan 8.150 nan 0.000 0.527 127 P HA 0.052 nan 4.420 nan 0.000 0.266 127 P C -0.406 176.722 177.300 -0.287 0.000 1.193 127 P CA 0.371 63.228 63.100 -0.405 0.000 0.770 127 P CB 0.480 31.699 31.700 -0.801 0.000 0.836 128 K N 1.647 121.864 120.400 -0.306 0.000 2.166 128 K HA 0.432 4.849 4.320 0.162 0.000 0.245 128 K C -0.348 176.095 176.600 -0.263 0.000 0.967 128 K CA -0.527 55.578 56.287 -0.303 0.000 0.863 128 K CB 1.002 33.277 32.500 -0.375 0.000 1.107 128 K HN 0.402 nan 8.250 nan 0.000 0.436 129 C N 0.759 119.834 119.300 -0.376 0.000 2.443 129 C HA 0.538 5.095 4.460 0.162 0.000 0.369 129 C C 0.198 175.071 174.990 -0.194 0.000 1.241 129 C CA -0.663 58.095 59.018 -0.432 0.000 2.413 129 C CB 0.676 27.822 27.740 -0.990 0.000 2.451 129 C HN 0.421 nan 8.230 nan 0.000 0.595 130 V N 2.919 122.846 119.914 0.023 0.000 2.483 130 V HA 0.271 4.488 4.120 0.162 0.000 0.297 130 V C -0.145 176.080 176.094 0.219 0.000 1.027 130 V CA -0.505 61.887 62.300 0.152 0.000 0.855 130 V CB 1.444 33.288 31.823 0.035 0.000 0.995 130 V HN 0.715 nan 8.190 nan 0.000 0.424 131 V N 5.968 126.023 119.914 0.236 0.000 2.599 131 V HA 0.320 4.537 4.120 0.162 0.000 0.300 131 V C 0.239 176.306 176.094 -0.046 0.000 1.034 131 V CA 0.354 62.676 62.300 0.036 0.000 1.115 131 V CB 1.152 32.921 31.823 -0.091 0.000 0.934 131 V HN 0.829 nan 8.190 nan 0.000 0.485 132 V N 3.473 123.334 119.914 -0.088 0.000 3.087 132 V HA 0.890 5.107 4.120 0.162 0.000 0.306 132 V C -0.580 175.441 176.094 -0.121 0.000 1.187 132 V CA -0.863 61.377 62.300 -0.101 0.000 0.999 132 V CB 1.949 33.734 31.823 -0.062 0.000 1.049 132 V HN 0.831 nan 8.190 nan 0.000 0.431 133 V N -0.644 119.183 119.914 -0.146 0.000 2.715 133 V HA 0.843 5.060 4.120 0.162 0.000 0.310 133 V C -0.862 175.079 176.094 -0.254 0.000 1.054 133 V CA -0.267 61.918 62.300 -0.192 0.000 0.928 133 V CB 1.666 33.333 31.823 -0.260 0.000 1.007 133 V HN 1.060 nan 8.190 nan 0.000 0.437 134 D N 0.920 121.197 120.400 -0.205 0.000 2.441 134 D HA 0.429 5.166 4.640 0.162 0.000 0.231 134 D C 0.130 176.398 176.300 -0.053 0.000 1.073 134 D CA -0.145 53.797 54.000 -0.097 0.000 0.850 134 D CB 0.851 41.669 40.800 0.029 0.000 1.062 134 D HN 0.799 nan 8.370 nan 0.000 0.524 135 H N 2.495 121.613 119.070 0.080 0.000 2.672 135 H HA 0.101 4.754 4.556 0.162 0.000 0.277 135 H C -0.283 175.065 175.328 0.032 0.000 1.074 135 H CA -0.626 55.458 56.048 0.059 0.000 1.173 135 H CB 0.358 30.142 29.762 0.038 0.000 1.558 135 H HN 0.410 nan 8.280 nan 0.000 0.539 136 Y N 2.593 122.885 120.300 -0.012 0.000 2.895 136 Y HA -0.136 4.511 4.550 0.162 0.000 0.334 136 Y C 0.290 176.085 175.900 -0.176 0.000 1.261 136 Y CA 0.000 57.998 58.100 -0.170 0.000 1.560 136 Y CB 0.269 38.525 38.460 -0.341 0.000 1.253 136 Y HN 0.203 nan 8.280 nan 0.000 0.582 137 D N 5.356 125.359 120.400 -0.661 0.000 2.359 137 D HA 0.052 4.789 4.640 0.162 0.000 0.230 137 D C -0.319 175.664 176.300 -0.528 0.000 1.118 137 D CA -0.361 53.400 54.000 -0.399 0.000 0.844 137 D CB 0.266 40.891 40.800 -0.293 0.000 1.059 137 D HN 0.697 nan 8.370 nan 0.000 0.493 138 W N 3.172 124.412 121.300 -0.100 0.000 2.800 138 W HA 0.036 4.793 4.660 0.161 0.000 0.249 138 W C 1.358 177.879 176.519 0.005 0.000 1.294 138 W CA 0.048 57.399 57.345 0.010 0.000 1.402 138 W CB 0.169 29.692 29.460 0.105 0.000 1.126 138 W HN 0.562 nan 8.180 nan 0.000 0.652 139 E N -0.371 119.921 120.200 0.152 0.000 3.304 139 E HA -0.366 4.081 4.350 0.162 0.000 0.365 139 E C 0.655 177.343 176.600 0.146 0.000 1.512 139 E CA 1.714 58.173 56.400 0.099 0.000 1.642 139 E CB -1.373 28.355 29.700 0.047 0.000 1.738 139 E HN 0.272 nan 8.360 nan 0.000 0.483 140 D N 1.581 122.055 120.400 0.124 0.000 2.427 140 D HA 0.122 4.859 4.640 0.162 0.000 0.224 140 D C -0.380 175.989 176.300 0.116 0.000 1.157 140 D CA 0.058 54.117 54.000 0.098 0.000 0.828 140 D CB -0.501 40.332 40.800 0.055 0.000 0.974 140 D HN 0.253 nan 8.370 nan 0.000 0.498 141 D N 0.696 121.227 120.400 0.219 0.000 2.450 141 D HA 0.316 5.053 4.640 0.162 0.000 0.247 141 D C -0.596 175.718 176.300 0.024 0.000 1.162 141 D CA 0.050 54.182 54.000 0.221 0.000 0.879 141 D CB 0.674 41.774 40.800 0.499 0.000 1.163 141 D HN 0.295 nan 8.370 nan 0.000 0.472 142 A N 4.202 126.968 122.820 -0.091 0.000 2.469 142 A HA 0.688 5.105 4.320 0.162 0.000 0.299 142 A C -2.613 174.727 177.584 -0.408 0.000 1.098 142 A CA -1.430 50.474 52.037 -0.222 0.000 0.737 142 A CB 1.649 20.564 19.000 -0.143 0.000 1.312 142 A HN 0.560 nan 8.150 nan 0.000 0.414 143 P HA 0.283 nan 4.420 nan 0.000 0.282 143 P C -2.281 174.818 177.300 -0.335 0.000 1.262 143 P CA -1.098 61.707 63.100 -0.491 0.000 0.773 143 P CB 1.032 32.506 31.700 -0.376 0.000 0.879 144 P HA -0.096 nan 4.420 nan 0.000 0.217 144 P C 0.155 177.356 177.300 -0.166 0.000 1.148 144 P CA 0.923 63.912 63.100 -0.186 0.000 0.828 144 P CB -0.117 31.505 31.700 -0.129 0.000 0.783 145 R N -1.350 119.036 120.500 -0.189 0.000 3.322 145 R HA -0.114 4.323 4.340 0.162 0.000 0.253 145 R C -0.511 175.695 176.300 -0.156 0.000 0.987 145 R CA 0.346 56.346 56.100 -0.167 0.000 0.666 145 R CB -2.955 27.265 30.300 -0.133 0.000 1.072 145 R HN 0.225 nan 8.270 nan 0.000 0.447 146 T N 1.951 116.394 114.554 -0.185 0.000 2.888 146 T HA 0.189 4.636 4.350 0.162 0.000 0.301 146 T C -1.915 172.666 174.700 -0.198 0.000 1.001 146 T CA -0.875 61.120 62.100 -0.175 0.000 1.147 146 T CB 0.833 69.589 68.868 -0.188 0.000 0.931 146 T HN 0.032 nan 8.240 nan 0.000 0.541 147 P HA 0.018 nan 4.420 nan 0.000 0.265 147 P C -0.050 177.215 177.300 -0.057 0.000 1.193 147 P CA -0.162 62.902 63.100 -0.060 0.000 0.765 147 P CB 0.433 32.117 31.700 -0.027 0.000 0.823 148 W N 2.523 123.772 121.300 -0.084 0.000 2.387 148 W HA -0.075 4.682 4.660 0.161 0.000 0.272 148 W C 2.324 178.770 176.519 -0.122 0.000 1.224 148 W CA 1.442 58.727 57.345 -0.102 0.000 1.210 148 W CB -0.511 28.887 29.460 -0.103 0.000 1.125 148 W HN 0.492 nan 8.180 nan 0.000 0.572 149 G N -1.632 107.235 108.800 0.112 0.000 2.650 149 G HA2 -0.110 3.947 3.960 0.162 0.000 0.214 149 G HA3 -0.110 3.947 3.960 0.162 0.000 0.214 149 G C 1.092 175.979 174.900 -0.023 0.000 1.136 149 G CA 0.911 46.021 45.100 0.017 0.000 0.789 149 G HN 0.154 nan 8.290 nan 0.000 0.536 150 S N -0.029 115.648 115.700 -0.038 0.000 2.749 150 S HA 0.214 4.781 4.470 0.162 0.000 0.246 150 S C 0.330 174.868 174.600 -0.102 0.000 1.023 150 S CA -0.348 57.808 58.200 -0.073 0.000 1.012 150 S CB 0.858 64.013 63.200 -0.075 0.000 0.942 150 S HN 0.158 nan 8.310 nan 0.000 0.531 151 T N 2.648 117.142 114.554 -0.098 0.000 2.856 151 T HA 0.545 4.992 4.350 0.162 0.000 0.292 151 T C -0.265 174.369 174.700 -0.111 0.000 0.980 151 T CA 0.177 62.191 62.100 -0.143 0.000 1.091 151 T CB 0.528 69.255 68.868 -0.235 0.000 0.936 151 T HN 0.177 nan 8.240 nan 0.000 0.503 152 I N 4.099 124.599 120.570 -0.117 0.000 2.497 152 I HA 0.386 4.653 4.170 0.162 0.000 0.284 152 I C -0.403 175.679 176.117 -0.058 0.000 1.060 152 I CA -0.600 60.646 61.300 -0.089 0.000 1.071 152 I CB 1.457 39.394 38.000 -0.106 0.000 1.216 152 I HN 0.469 nan 8.210 nan 0.000 0.442 153 I N 5.608 126.160 120.570 -0.030 0.000 2.499 153 I HA 0.255 4.522 4.170 0.162 0.000 0.296 153 I C -0.879 175.307 176.117 0.115 0.000 0.992 153 I CA -0.623 60.688 61.300 0.017 0.000 1.297 153 I CB 1.156 39.156 38.000 0.001 0.000 1.410 153 I HN 0.503 nan 8.210 nan 0.000 0.507 154 Y N 4.896 125.185 120.300 -0.018 0.000 2.363 154 Y HA 0.267 4.914 4.550 0.162 0.000 0.325 154 Y C -0.119 175.805 175.900 0.039 0.000 0.984 154 Y CA -0.736 57.373 58.100 0.014 0.000 1.248 154 Y CB 1.082 39.562 38.460 0.033 0.000 1.116 154 Y HN 0.560 nan 8.280 nan 0.000 0.470 155 E N 4.818 124.924 120.200 -0.157 0.000 2.223 155 E HA 0.603 5.050 4.350 0.162 0.000 0.282 155 E C -1.208 175.252 176.600 -0.235 0.000 1.046 155 E CA -0.191 56.143 56.400 -0.109 0.000 0.857 155 E CB 0.650 30.350 29.700 -0.000 0.000 1.055 155 E HN 0.713 nan 8.360 nan 0.000 0.409 156 A N 4.622 127.367 122.820 -0.125 0.000 2.527 156 A HA 0.375 4.792 4.320 0.162 0.000 0.293 156 A C -1.577 175.995 177.584 -0.021 0.000 1.117 156 A CA -0.733 51.257 52.037 -0.078 0.000 0.723 156 A CB 1.511 20.504 19.000 -0.011 0.000 1.313 156 A HN 0.770 nan 8.150 nan 0.000 0.411 157 H N 1.425 120.464 119.070 -0.053 0.000 2.476 157 H HA 0.368 5.021 4.556 0.161 0.000 0.328 157 H C 0.865 176.097 175.328 -0.160 0.000 1.073 157 H CA -0.123 55.849 56.048 -0.126 0.000 1.229 157 H CB 1.768 31.497 29.762 -0.056 0.000 1.432 157 H HN 0.278 nan 8.280 nan 0.000 0.477 158 V N 5.258 124.932 119.914 -0.401 0.000 2.317 158 V HA -0.315 3.902 4.120 0.162 0.000 0.251 158 V C 2.607 178.565 176.094 -0.227 0.000 1.065 158 V CA 2.630 64.695 62.300 -0.391 0.000 1.049 158 V CB -0.350 30.980 31.823 -0.822 0.000 0.651 158 V HN 0.684 nan 8.190 nan 0.000 0.450 159 K N -0.236 120.111 120.400 -0.087 0.000 2.044 159 K HA -0.018 4.399 4.320 0.162 0.000 0.204 159 K C 2.246 178.904 176.600 0.096 0.000 1.045 159 K CA 1.178 57.446 56.287 -0.032 0.000 0.951 159 K CB -0.574 31.919 32.500 -0.011 0.000 0.738 159 K HN 0.421 nan 8.250 nan 0.000 0.443 160 G N 1.917 110.871 108.800 0.257 0.000 2.475 160 G HA2 -0.271 3.786 3.960 0.162 0.000 0.220 160 G HA3 -0.271 3.786 3.960 0.162 0.000 0.220 160 G C 1.410 176.496 174.900 0.310 0.000 1.125 160 G CA 0.961 46.275 45.100 0.357 0.000 0.755 160 G HN 0.305 nan 8.290 nan 0.000 0.565 161 L N 1.387 122.782 121.223 0.286 0.000 2.042 161 L HA 0.005 4.442 4.340 0.162 0.000 0.210 161 L C 2.666 179.833 176.870 0.494 0.000 1.076 161 L CA 2.799 57.858 54.840 0.365 0.000 0.749 161 L CB -0.328 41.910 42.059 0.298 0.000 0.893 161 L HN 0.364 nan 8.230 nan 0.000 0.432 162 T N -5.845 108.893 114.554 0.306 0.000 3.058 162 T HA 0.007 4.454 4.350 0.162 0.000 0.278 162 T C 1.584 176.382 174.700 0.163 0.000 0.974 162 T CA -0.030 62.203 62.100 0.222 0.000 0.893 162 T CB -0.811 68.086 68.868 0.047 0.000 1.138 162 T HN 0.339 nan 8.240 nan 0.000 0.529 163 Y N 2.032 122.317 120.300 -0.025 0.000 2.207 163 Y HA 0.159 4.806 4.550 0.163 0.000 0.287 163 Y C 1.280 177.106 175.900 -0.124 0.000 1.156 163 Y CA 1.122 59.095 58.100 -0.212 0.000 1.182 163 Y CB 0.030 38.119 38.460 -0.619 0.000 0.979 163 Y HN 0.231 nan 8.280 nan 0.000 0.521 164 L N -0.235 121.027 121.223 0.066 0.000 3.017 164 L HA 0.159 4.596 4.340 0.162 0.000 0.255 164 L C -0.564 176.418 176.870 0.188 0.000 1.247 164 L CA -0.203 54.676 54.840 0.065 0.000 1.038 164 L CB -0.178 42.000 42.059 0.198 0.000 1.380 164 L HN 0.097 nan 8.230 nan 0.000 0.548 165 H N 1.484 120.551 119.070 -0.005 0.000 2.723 165 H HA 0.164 4.817 4.556 0.161 0.000 0.294 165 H C -1.623 173.574 175.328 -0.217 0.000 1.079 165 H CA -1.696 54.213 56.048 -0.230 0.000 1.411 165 H CB 1.532 30.935 29.762 -0.598 0.000 1.439 165 H HN -0.055 nan 8.280 nan 0.000 0.474 166 P HA -0.179 nan 4.420 nan 0.000 0.217 166 P C 0.436 177.748 177.300 0.021 0.000 1.148 166 P CA 1.355 64.466 63.100 0.018 0.000 0.828 166 P CB 0.288 31.981 31.700 -0.012 0.000 0.783 167 E N -1.572 118.700 120.200 0.120 0.000 2.478 167 E HA 0.044 4.492 4.350 0.162 0.000 0.194 167 E C 0.282 176.693 176.600 -0.316 0.000 1.045 167 E CA -0.026 56.324 56.400 -0.085 0.000 0.868 167 E CB 0.101 29.761 29.700 -0.065 0.000 0.885 167 E HN 0.179 nan 8.360 nan 0.000 0.505 168 I N 2.292 122.627 120.570 -0.392 0.000 2.331 168 I HA 0.205 4.472 4.170 0.162 0.000 0.292 168 I C -2.300 173.631 176.117 -0.310 0.000 0.998 168 I CA -3.171 57.803 61.300 -0.542 0.000 1.267 168 I CB 0.682 38.375 38.000 -0.512 0.000 1.386 168 I HN -0.310 nan 8.210 nan 0.000 0.476 169 P HA -0.081 nan 4.420 nan 0.000 0.258 169 P C 1.295 178.528 177.300 -0.112 0.000 1.172 169 P CA 0.353 63.378 63.100 -0.125 0.000 0.762 169 P CB 0.647 32.316 31.700 -0.052 0.000 0.764 170 V N 4.711 124.566 119.914 -0.097 0.000 2.363 170 V HA -0.285 3.932 4.120 0.162 0.000 0.254 170 V C 1.841 177.886 176.094 -0.081 0.000 1.074 170 V CA 2.503 64.740 62.300 -0.104 0.000 1.069 170 V CB -0.747 31.024 31.823 -0.088 0.000 0.659 170 V HN 0.682 nan 8.190 nan 0.000 0.455 171 E N 0.775 120.948 120.200 -0.046 0.000 2.516 171 E HA -0.106 4.341 4.350 0.162 0.000 0.199 171 E C 1.539 178.137 176.600 -0.003 0.000 1.069 171 E CA 1.430 57.819 56.400 -0.018 0.000 0.876 171 E CB -0.425 29.273 29.700 -0.003 0.000 0.843 171 E HN 0.923 nan 8.360 nan 0.000 0.530 172 I N -2.882 117.677 120.570 -0.017 0.000 4.338 172 I HA 0.304 4.571 4.170 0.162 0.000 0.329 172 I C 0.227 176.339 176.117 -0.009 0.000 1.378 172 I CA -0.842 60.462 61.300 0.006 0.000 1.170 172 I CB 0.444 38.459 38.000 0.026 0.000 1.206 172 I HN -0.265 nan 8.210 nan 0.000 0.432 173 R N 2.289 122.763 120.500 -0.042 0.000 2.537 173 R HA 0.355 4.792 4.340 0.162 0.000 0.280 173 R C 1.102 177.456 176.300 0.091 0.000 1.058 173 R CA 0.796 56.873 56.100 -0.038 0.000 1.057 173 R CB 0.468 30.677 30.300 -0.152 0.000 0.973 173 R HN 0.546 nan 8.270 nan 0.000 0.438 174 G N 1.433 110.292 108.800 0.099 0.000 2.159 174 G HA2 -0.304 3.753 3.960 0.162 0.000 0.256 174 G HA3 -0.304 3.753 3.960 0.162 0.000 0.256 174 G C 0.267 175.141 174.900 -0.044 0.000 0.977 174 G CA 0.593 45.742 45.100 0.081 0.000 0.652 174 G HN 0.766 nan 8.290 nan 0.000 0.531 175 T N -3.667 110.863 114.554 -0.040 0.000 2.927 175 T HA 0.642 5.089 4.350 0.162 0.000 0.286 175 T C 1.020 175.666 174.700 -0.090 0.000 1.040 175 T CA -0.142 61.896 62.100 -0.103 0.000 1.010 175 T CB 1.342 70.218 68.868 0.014 0.000 1.177 175 T HN 0.137 nan 8.240 nan 0.000 0.546 176 Y N 0.053 120.395 120.300 0.070 0.000 2.333 176 Y HA 0.076 4.722 4.550 0.161 0.000 0.290 176 Y C 2.709 178.695 175.900 0.143 0.000 1.144 176 Y CA 1.207 59.369 58.100 0.104 0.000 1.228 176 Y CB -0.427 38.112 38.460 0.132 0.000 0.985 176 Y HN 0.660 nan 8.280 nan 0.000 0.542 177 K N 0.306 120.857 120.400 0.252 0.000 2.097 177 K HA -0.145 4.272 4.320 0.162 0.000 0.206 177 K C 2.294 178.981 176.600 0.146 0.000 1.049 177 K CA 1.007 57.403 56.287 0.180 0.000 0.933 177 K CB -0.247 32.336 32.500 0.138 0.000 0.717 177 K HN 0.254 nan 8.250 nan 0.000 0.442 178 A N 1.143 124.026 122.820 0.106 0.000 1.933 178 A HA -0.122 4.295 4.320 0.162 0.000 0.218 178 A C 2.005 179.642 177.584 0.089 0.000 1.175 178 A CA 1.218 53.293 52.037 0.064 0.000 0.628 178 A CB -0.620 18.381 19.000 0.001 0.000 0.814 178 A HN 0.312 nan 8.150 nan 0.000 0.444 179 L N -0.903 120.394 121.223 0.124 0.000 2.129 179 L HA -0.170 4.267 4.340 0.162 0.000 0.212 179 L C 2.328 179.269 176.870 0.120 0.000 1.087 179 L CA 1.145 56.069 54.840 0.141 0.000 0.757 179 L CB -0.531 41.652 42.059 0.206 0.000 0.896 179 L HN 0.510 nan 8.230 nan 0.000 0.434 180 G N -2.851 106.021 108.800 0.119 0.000 3.233 180 G HA2 -0.038 4.019 3.960 0.162 0.000 0.234 180 G HA3 -0.038 4.019 3.960 0.162 0.000 0.234 180 G C 0.393 175.330 174.900 0.060 0.000 1.137 180 G CA -0.330 44.816 45.100 0.076 0.000 0.763 180 G HN 0.228 nan 8.290 nan 0.000 0.549 181 H N 1.326 120.389 119.070 -0.012 0.000 2.732 181 H HA 0.136 4.789 4.556 0.162 0.000 0.351 181 H C -1.512 173.785 175.328 -0.053 0.000 1.090 181 H CA -1.427 54.596 56.048 -0.042 0.000 1.431 181 H CB 1.995 31.709 29.762 -0.079 0.000 1.447 181 H HN -0.101 nan 8.280 nan 0.000 0.582 182 P HA -0.227 nan 4.420 nan 0.000 0.218 182 P C 1.672 179.022 177.300 0.083 0.000 1.152 182 P CA 1.143 64.199 63.100 -0.073 0.000 0.857 182 P CB 0.295 31.885 31.700 -0.183 0.000 0.787 183 V N -1.444 118.632 119.914 0.271 0.000 2.295 183 V HA -0.258 3.959 4.120 0.162 0.000 0.246 183 V C 2.365 178.442 176.094 -0.028 0.000 1.049 183 V CA 1.760 64.078 62.300 0.031 0.000 1.024 183 V CB -0.934 30.750 31.823 -0.232 0.000 0.648 183 V HN 0.118 nan 8.190 nan 0.000 0.447 184 M N -0.944 118.638 119.600 -0.030 0.000 2.156 184 M HA -0.032 4.545 4.480 0.162 0.000 0.264 184 M C 2.194 178.554 176.300 0.101 0.000 1.067 184 M CA 1.722 57.038 55.300 0.026 0.000 1.131 184 M CB -0.910 31.706 32.600 0.027 0.000 1.368 184 M HN 0.264 nan 8.290 nan 0.000 0.416 185 I N 0.138 120.748 120.570 0.066 0.000 2.208 185 I HA -0.352 3.915 4.170 0.162 0.000 0.245 185 I C 2.446 178.586 176.117 0.038 0.000 1.097 185 I CA 1.217 62.543 61.300 0.043 0.000 1.363 185 I CB -0.614 37.398 38.000 0.021 0.000 1.051 185 I HN 0.453 nan 8.210 nan 0.000 0.413 186 N N 0.644 119.375 118.700 0.051 0.000 2.106 186 N HA -0.268 4.569 4.740 0.162 0.000 0.188 186 N C 2.176 177.726 175.510 0.066 0.000 1.029 186 N CA 1.569 54.648 53.050 0.048 0.000 0.848 186 N CB -0.186 38.332 38.487 0.053 0.000 1.007 186 N HN 0.303 nan 8.380 nan 0.000 0.423 187 Y N 1.402 121.700 120.300 -0.004 0.000 2.097 187 Y HA -0.184 4.463 4.550 0.161 0.000 0.282 187 Y C 2.268 178.164 175.900 -0.006 0.000 1.152 187 Y CA 1.280 59.390 58.100 0.017 0.000 1.136 187 Y CB -0.634 37.842 38.460 0.027 0.000 0.975 187 Y HN 0.017 nan 8.280 nan 0.000 0.498 188 L N 0.701 121.877 121.223 -0.078 0.000 2.042 188 L HA -0.242 4.195 4.340 0.162 0.000 0.210 188 L C 2.332 179.076 176.870 -0.210 0.000 1.076 188 L CA 1.752 56.461 54.840 -0.217 0.000 0.749 188 L CB -1.107 40.911 42.059 -0.069 0.000 0.893 188 L HN 0.154 nan 8.230 nan 0.000 0.432 189 K N -0.477 119.859 120.400 -0.106 0.000 2.025 189 K HA -0.128 4.289 4.320 0.162 0.000 0.207 189 K C 2.028 178.600 176.600 -0.047 0.000 1.049 189 K CA 1.211 57.458 56.287 -0.067 0.000 0.933 189 K CB -0.446 32.038 32.500 -0.026 0.000 0.714 189 K HN 0.495 nan 8.250 nan 0.000 0.438 190 Q N 0.317 120.077 119.800 -0.068 0.000 2.170 190 Q HA -0.119 4.318 4.340 0.162 0.000 0.203 190 Q C 2.031 178.014 176.000 -0.028 0.000 0.976 190 Q CA 0.790 56.566 55.803 -0.045 0.000 0.858 190 Q CB -0.145 28.560 28.738 -0.055 0.000 0.907 190 Q HN 0.090 nan 8.270 nan 0.000 0.433 191 L N -0.472 120.621 121.223 -0.215 0.000 2.156 191 L HA 0.027 4.464 4.340 0.162 0.000 0.208 191 L C 1.219 178.034 176.870 -0.091 0.000 1.095 191 L CA 2.284 56.986 54.840 -0.230 0.000 0.770 191 L CB -0.279 41.443 42.059 -0.562 0.000 0.914 191 L HN 0.363 nan 8.230 nan 0.000 0.439 192 G N -0.616 108.096 108.800 -0.146 0.000 2.144 192 G HA2 -0.200 3.857 3.960 0.162 0.000 0.218 192 G HA3 -0.200 3.857 3.960 0.162 0.000 0.218 192 G C 0.439 175.184 174.900 -0.259 0.000 0.988 192 G CA 0.146 45.073 45.100 -0.289 0.000 0.659 192 G HN 0.528 nan 8.290 nan 0.000 0.522 193 I N 0.862 121.292 120.570 -0.233 0.000 2.638 193 I HA 0.674 4.941 4.170 0.162 0.000 0.286 193 I C 1.132 177.164 176.117 -0.142 0.000 1.088 193 I CA 0.894 62.085 61.300 -0.180 0.000 1.397 193 I CB 1.103 38.989 38.000 -0.190 0.000 1.414 193 I HN 0.365 nan 8.210 nan 0.000 0.566 194 T N 2.386 116.869 114.554 -0.118 0.000 3.000 194 T HA 0.498 4.945 4.350 0.162 0.000 0.248 194 T C 0.619 175.263 174.700 -0.093 0.000 1.034 194 T CA 0.368 62.401 62.100 -0.111 0.000 1.060 194 T CB 0.022 68.809 68.868 -0.135 0.000 0.983 194 T HN 0.961 nan 8.240 nan 0.000 0.482 195 A N 1.548 124.322 122.820 -0.077 0.000 2.332 195 A HA 0.735 5.152 4.320 0.162 0.000 0.300 195 A C -1.010 176.585 177.584 0.018 0.000 1.153 195 A CA -0.803 51.197 52.037 -0.062 0.000 0.764 195 A CB 1.090 20.014 19.000 -0.127 0.000 1.174 195 A HN 0.421 nan 8.150 nan 0.000 0.467 196 L N 2.183 123.430 121.223 0.039 0.000 2.268 196 L HA 0.454 4.891 4.340 0.162 0.000 0.289 196 L C 0.209 177.118 176.870 0.065 0.000 1.064 196 L CA 0.178 55.086 54.840 0.114 0.000 0.824 196 L CB 0.677 42.812 42.059 0.126 0.000 1.202 196 L HN 0.725 nan 8.230 nan 0.000 0.433 197 E N 5.410 125.649 120.200 0.065 0.000 2.115 197 E HA 0.402 4.849 4.350 0.162 0.000 0.282 197 E C -1.362 175.238 176.600 -0.000 0.000 0.987 197 E CA -0.561 55.853 56.400 0.023 0.000 0.797 197 E CB 0.728 30.458 29.700 0.049 0.000 1.086 197 E HN 0.701 nan 8.360 nan 0.000 0.397 198 L N 4.609 125.812 121.223 -0.033 0.000 2.309 198 L HA 0.327 4.764 4.340 0.162 0.000 0.282 198 L C -0.198 176.556 176.870 -0.193 0.000 1.036 198 L CA -1.133 53.650 54.840 -0.095 0.000 0.806 198 L CB 0.820 42.846 42.059 -0.055 0.000 1.220 198 L HN 0.489 nan 8.230 nan 0.000 0.429 199 L N 4.327 125.370 121.223 -0.301 0.000 2.483 199 L HA 0.172 4.610 4.340 0.162 0.000 0.275 199 L C -1.904 174.682 176.870 -0.473 0.000 1.220 199 L CA -0.863 53.702 54.840 -0.459 0.000 0.833 199 L CB -0.489 41.232 42.059 -0.563 0.000 1.102 199 L HN 0.354 nan 8.230 nan 0.000 0.490 200 P HA -0.105 nan 4.420 nan 0.000 0.263 200 P C 0.284 177.458 177.300 -0.210 0.000 1.162 200 P CA 0.478 63.318 63.100 -0.433 0.000 0.758 200 P CB 0.223 31.564 31.700 -0.598 0.000 0.773 201 V N -0.007 119.815 119.914 -0.153 0.000 3.477 201 V HA 0.479 4.696 4.120 0.162 0.000 0.297 201 V C 0.663 176.769 176.094 0.021 0.000 1.433 201 V CA 0.145 62.449 62.300 0.007 0.000 1.052 201 V CB -0.354 31.420 31.823 -0.081 0.000 0.895 201 V HN 0.473 nan 8.190 nan 0.000 0.438 202 A N 1.058 123.844 122.820 -0.057 0.000 2.454 202 A HA 0.387 4.804 4.320 0.162 0.000 0.260 202 A C 0.438 178.140 177.584 0.197 0.000 1.106 202 A CA -0.006 52.082 52.037 0.086 0.000 0.780 202 A CB 0.130 19.149 19.000 0.032 0.000 1.044 202 A HN 0.708 nan 8.150 nan 0.000 0.498 203 Q N 1.382 121.322 119.800 0.233 0.000 2.436 203 Q HA 0.191 4.628 4.340 0.162 0.000 0.326 203 Q C -0.696 175.383 176.000 0.131 0.000 1.079 203 Q CA 0.894 56.811 55.803 0.189 0.000 1.049 203 Q CB -0.234 28.579 28.738 0.125 0.000 1.047 203 Q HN 0.672 nan 8.270 nan 0.000 0.386 204 F N 2.008 122.031 119.950 0.123 0.000 2.631 204 F HA 0.940 5.563 4.527 0.160 0.000 0.328 204 F C -0.948 174.847 175.800 -0.009 0.000 1.067 204 F CA -0.919 57.040 58.000 -0.067 0.000 0.969 204 F CB 0.851 39.755 39.000 -0.160 0.000 1.332 204 F HN 0.480 nan 8.300 nan 0.000 0.490 205 A N 0.267 123.210 122.820 0.205 0.000 2.387 205 A HA 0.796 5.213 4.320 0.162 0.000 0.298 205 A C -1.137 176.652 177.584 0.340 0.000 1.165 205 A CA -0.928 51.209 52.037 0.167 0.000 0.814 205 A CB 0.982 19.950 19.000 -0.053 0.000 1.357 205 A HN 0.760 nan 8.150 nan 0.000 0.443 206 S N 0.967 116.836 115.700 0.281 0.000 2.442 206 S HA 0.415 4.982 4.470 0.162 0.000 0.297 206 S C -0.472 174.258 174.600 0.217 0.000 1.131 206 S CA -0.429 57.922 58.200 0.252 0.000 1.092 206 S CB 0.806 64.132 63.200 0.209 0.000 0.998 206 S HN 0.625 nan 8.310 nan 0.000 0.478 207 E N 3.451 123.771 120.200 0.199 0.000 2.436 207 E HA 0.047 4.494 4.350 0.162 0.000 0.262 207 E C -1.682 175.003 176.600 0.142 0.000 1.063 207 E CA -1.057 55.447 56.400 0.173 0.000 0.944 207 E CB -0.036 29.757 29.700 0.156 0.000 0.950 207 E HN 0.243 nan 8.360 nan 0.000 0.444 208 P HA -0.219 nan 4.420 nan 0.000 0.215 208 P C 0.968 178.311 177.300 0.073 0.000 1.153 208 P CA 1.608 64.764 63.100 0.093 0.000 0.853 208 P CB 0.097 31.837 31.700 0.067 0.000 0.788 209 R N -0.901 119.641 120.500 0.069 0.000 2.127 209 R HA -0.111 4.326 4.340 0.162 0.000 0.238 209 R C 1.748 178.084 176.300 0.060 0.000 1.134 209 R CA 1.316 57.451 56.100 0.058 0.000 0.975 209 R CB -1.560 28.775 30.300 0.060 0.000 0.865 209 R HN 0.109 nan 8.270 nan 0.000 0.447 210 L N 1.588 122.857 121.223 0.076 0.000 2.044 210 L HA -0.065 4.372 4.340 0.162 0.000 0.205 210 L C 2.544 179.440 176.870 0.044 0.000 1.075 210 L CA 1.725 56.597 54.840 0.055 0.000 0.747 210 L CB -0.780 41.320 42.059 0.068 0.000 0.903 210 L HN 0.267 nan 8.230 nan 0.000 0.435 211 Q N -0.887 118.952 119.800 0.065 0.000 2.170 211 Q HA -0.188 4.249 4.340 0.162 0.000 0.203 211 Q C 2.131 178.156 176.000 0.041 0.000 0.976 211 Q CA 1.256 57.095 55.803 0.060 0.000 0.858 211 Q CB -0.203 28.582 28.738 0.079 0.000 0.907 211 Q HN 0.464 nan 8.270 nan 0.000 0.433 212 R N -0.156 120.367 120.500 0.039 0.000 2.280 212 R HA 0.056 4.493 4.340 0.162 0.000 0.207 212 R C 1.550 177.861 176.300 0.018 0.000 1.043 212 R CA 0.706 56.822 56.100 0.027 0.000 1.006 212 R CB 0.085 30.400 30.300 0.025 0.000 0.885 212 R HN 0.239 nan 8.270 nan 0.000 0.467 213 M N -0.836 118.773 119.600 0.015 0.000 2.371 213 M HA 0.199 4.776 4.480 0.162 0.000 0.246 213 M C 0.600 176.897 176.300 -0.005 0.000 1.103 213 M CA 0.239 55.541 55.300 0.003 0.000 1.010 213 M CB 1.319 33.919 32.600 -0.001 0.000 1.457 213 M HN 0.366 nan 8.290 nan 0.000 0.486 214 G N 1.365 110.166 108.800 0.002 0.000 2.143 214 G HA2 -0.226 3.831 3.960 0.162 0.000 0.248 214 G HA3 -0.226 3.831 3.960 0.162 0.000 0.248 214 G C -0.084 174.809 174.900 -0.011 0.000 0.991 214 G CA 0.052 45.152 45.100 -0.000 0.000 0.689 214 G HN 0.410 nan 8.290 nan 0.000 0.522 215 L N -0.385 120.829 121.223 -0.016 0.000 2.391 215 L HA 0.907 5.344 4.340 0.162 0.000 0.266 215 L C 0.868 177.736 176.870 -0.004 0.000 1.035 215 L CA -0.400 54.416 54.840 -0.040 0.000 0.877 215 L CB 1.881 43.885 42.059 -0.092 0.000 1.504 215 L HN 0.483 nan 8.230 nan 0.000 0.503 216 S N -1.552 114.140 115.700 -0.013 0.000 2.671 216 S HA 0.385 4.952 4.470 0.162 0.000 0.277 216 S C -1.226 173.404 174.600 0.049 0.000 1.165 216 S CA -0.905 57.334 58.200 0.065 0.000 0.822 216 S CB 1.717 64.991 63.200 0.124 0.000 1.150 216 S HN 0.505 nan 8.310 nan 0.000 0.479 217 N N 0.638 119.433 118.700 0.159 0.000 2.420 217 N HA 0.231 5.068 4.740 0.162 0.000 0.249 217 N C -0.240 175.405 175.510 0.225 0.000 1.033 217 N CA -0.292 52.840 53.050 0.138 0.000 0.944 217 N CB 0.637 39.238 38.487 0.190 0.000 1.113 217 N HN 0.789 nan 8.380 nan 0.000 0.502 218 Y N 5.073 125.375 120.300 0.003 0.000 2.262 218 Y HA 0.068 4.715 4.550 0.161 0.000 0.295 218 Y C 1.255 177.376 175.900 0.369 0.000 1.121 218 Y CA 1.172 59.365 58.100 0.155 0.000 1.144 218 Y CB -0.127 38.331 38.460 -0.003 0.000 1.043 218 Y HN 0.515 nan 8.280 nan 0.000 0.528 219 W N 0.508 121.804 121.300 -0.007 0.000 2.358 219 W HA 0.121 4.878 4.660 0.161 0.000 0.303 219 W C 2.073 178.184 176.519 -0.679 0.000 1.208 219 W CA 2.082 59.316 57.345 -0.185 0.000 1.274 219 W CB -1.199 28.392 29.460 0.218 0.000 1.138 219 W HN 0.357 nan 8.180 nan 0.000 0.515 220 G N -2.068 106.302 108.800 -0.718 0.000 2.134 220 G HA2 -0.302 3.755 3.960 0.162 0.000 0.209 220 G HA3 -0.302 3.755 3.960 0.162 0.000 0.209 220 G C -0.112 174.188 174.900 -1.001 0.000 0.993 220 G CA -0.143 43.819 45.100 -1.897 0.000 0.669 220 G HN 0.267 nan 8.290 nan 0.000 0.519 221 Y N 0.795 120.930 120.300 -0.276 0.000 3.007 221 Y HA 0.433 5.080 4.550 0.161 0.000 0.390 221 Y C 1.208 177.125 175.900 0.028 0.000 1.065 221 Y CA 0.269 58.334 58.100 -0.060 0.000 1.845 221 Y CB 0.094 38.622 38.460 0.114 0.000 1.828 221 Y HN 0.270 nan 8.280 nan 0.000 0.458 222 N N 1.259 119.968 118.700 0.016 0.000 2.673 222 N HA 0.153 4.990 4.740 0.162 0.000 0.265 222 N C -3.212 172.351 175.510 0.087 0.000 1.709 222 N CA -1.913 51.200 53.050 0.105 0.000 0.792 222 N CB 0.891 39.493 38.487 0.191 0.000 1.286 222 N HN -0.127 nan 8.380 nan 0.000 0.506 223 P HA 0.018 nan 4.420 nan 0.000 0.268 223 P C 0.285 177.570 177.300 -0.025 0.000 1.204 223 P CA -0.028 63.089 63.100 0.028 0.000 0.768 223 P CB 1.755 33.458 31.700 0.005 0.000 0.842 224 V N 1.677 121.527 119.914 -0.107 0.000 3.572 224 V HA 0.355 4.572 4.120 0.162 0.000 0.260 224 V C 1.023 177.032 176.094 -0.142 0.000 1.324 224 V CA 0.793 62.915 62.300 -0.296 0.000 1.068 224 V CB 0.093 31.343 31.823 -0.956 0.000 0.837 224 V HN 0.722 nan 8.190 nan 0.000 0.450 225 A N 0.022 122.841 122.820 -0.002 0.000 2.768 225 A HA 0.603 5.020 4.320 0.162 0.000 0.299 225 A C 0.392 178.120 177.584 0.239 0.000 1.171 225 A CA -0.367 51.750 52.037 0.133 0.000 0.759 225 A CB 0.724 19.796 19.000 0.119 0.000 1.267 225 A HN 0.159 nan 8.150 nan 0.000 0.421 226 M N 0.603 120.381 119.600 0.296 0.000 2.446 226 M HA -0.026 4.551 4.480 0.162 0.000 0.263 226 M C 0.489 176.990 176.300 0.335 0.000 1.066 226 M CA 1.699 57.169 55.300 0.282 0.000 1.087 226 M CB -0.340 32.379 32.600 0.197 0.000 1.406 226 M HN 0.759 nan 8.290 nan 0.000 0.459 227 F N -0.199 119.864 119.950 0.189 0.000 2.695 227 F HA 0.352 4.976 4.527 0.160 0.000 0.303 227 F C 1.120 176.933 175.800 0.022 0.000 1.091 227 F CA -0.472 57.508 58.000 -0.034 0.000 1.300 227 F CB 0.071 38.880 39.000 -0.319 0.000 1.071 227 F HN -0.123 nan 8.300 nan 0.000 0.578 228 A N 0.827 123.866 122.820 0.364 0.000 2.324 228 A HA 0.546 4.963 4.320 0.162 0.000 0.330 228 A C -0.678 177.171 177.584 0.441 0.000 1.165 228 A CA -0.544 51.671 52.037 0.298 0.000 0.813 228 A CB 0.772 19.884 19.000 0.188 0.000 1.197 228 A HN 0.145 nan 8.150 nan 0.000 0.484 229 L N 2.475 123.934 121.223 0.393 0.000 2.319 229 L HA 0.180 4.617 4.340 0.162 0.000 0.280 229 L C 0.114 177.117 176.870 0.221 0.000 1.099 229 L CA -0.465 54.610 54.840 0.392 0.000 0.828 229 L CB 0.553 42.764 42.059 0.254 0.000 1.150 229 L HN 0.974 nan 8.230 nan 0.000 0.442 230 H N 7.328 126.455 119.070 0.095 0.000 3.217 230 H HA 0.011 4.664 4.556 0.161 0.000 0.272 230 H C -1.531 173.775 175.328 -0.036 0.000 0.929 230 H CA -0.844 55.134 56.048 -0.116 0.000 1.425 230 H CB 0.699 30.247 29.762 -0.357 0.000 1.505 230 H HN 0.346 nan 8.280 nan 0.000 0.542 231 P HA -0.127 nan 4.420 nan 0.000 0.221 231 P C 1.008 178.157 177.300 -0.252 0.000 1.150 231 P CA 1.339 64.319 63.100 -0.200 0.000 0.800 231 P CB 0.185 31.771 31.700 -0.189 0.000 0.787 232 A N -0.550 121.920 122.820 -0.583 0.000 2.019 232 A HA -0.171 4.246 4.320 0.162 0.000 0.219 232 A C 1.666 179.201 177.584 -0.081 0.000 1.164 232 A CA 1.108 52.938 52.037 -0.346 0.000 0.644 232 A CB -1.613 17.134 19.000 -0.422 0.000 0.805 232 A HN 0.109 nan 8.150 nan 0.000 0.449 233 Y N -0.442 119.786 120.300 -0.120 0.000 2.529 233 Y HA 0.473 5.120 4.550 0.162 0.000 0.290 233 Y C 1.294 176.938 175.900 -0.426 0.000 1.177 233 Y CA -0.593 57.293 58.100 -0.357 0.000 1.305 233 Y CB -1.034 36.980 38.460 -0.744 0.000 1.047 233 Y HN 0.293 nan 8.280 nan 0.000 0.522 234 A N -1.276 121.596 122.820 0.086 0.000 2.304 234 A HA 0.306 4.723 4.320 0.162 0.000 0.301 234 A C 1.109 178.767 177.584 0.123 0.000 1.132 234 A CA -0.369 51.810 52.037 0.237 0.000 0.819 234 A CB 0.393 19.573 19.000 0.299 0.000 1.094 234 A HN 0.451 nan 8.150 nan 0.000 0.492 235 C N 0.701 120.083 119.300 0.137 0.000 2.466 235 C HA 0.120 4.677 4.460 0.162 0.000 0.278 235 C C 1.330 176.363 174.990 0.072 0.000 1.288 235 C CA 1.266 60.337 59.018 0.089 0.000 1.722 235 C CB -0.559 27.236 27.740 0.092 0.000 2.017 235 C HN 0.722 nan 8.230 nan 0.000 0.488 236 S N 0.845 116.596 115.700 0.086 0.000 2.328 236 S HA 0.273 4.840 4.470 0.162 0.000 0.204 236 S C -1.871 172.764 174.600 0.057 0.000 1.475 236 S CA -0.575 57.660 58.200 0.059 0.000 1.148 236 S CB 1.203 64.435 63.200 0.053 0.000 1.077 236 S HN 0.328 nan 8.310 nan 0.000 0.479 237 P HA -0.231 nan 4.420 nan 0.000 0.214 237 P C 1.641 178.944 177.300 0.005 0.000 1.169 237 P CA 1.130 64.240 63.100 0.015 0.000 0.908 237 P CB 0.095 31.783 31.700 -0.020 0.000 0.791 238 E N -0.770 119.427 120.200 -0.004 0.000 2.510 238 E HA -0.131 4.316 4.350 0.162 0.000 0.202 238 E C 0.363 176.964 176.600 0.000 0.000 1.072 238 E CA 1.257 57.651 56.400 -0.010 0.000 0.883 238 E CB -1.025 28.667 29.700 -0.014 0.000 0.818 238 E HN 0.152 nan 8.360 nan 0.000 0.548 239 T N -1.328 113.234 114.554 0.014 0.000 4.242 239 T HA 0.486 4.933 4.350 0.162 0.000 0.288 239 T C 0.661 175.378 174.700 0.028 0.000 0.931 239 T CA 0.256 62.366 62.100 0.016 0.000 1.071 239 T CB -0.199 68.680 68.868 0.018 0.000 1.054 239 T HN 0.161 nan 8.240 nan 0.000 0.481 240 A N 1.071 123.914 122.820 0.038 0.000 1.902 240 A HA 0.125 4.542 4.320 0.162 0.000 0.217 240 A C 2.108 179.678 177.584 -0.022 0.000 1.181 240 A CA 1.103 53.176 52.037 0.059 0.000 0.623 240 A CB -0.620 18.440 19.000 0.100 0.000 0.818 240 A HN 0.626 nan 8.150 nan 0.000 0.443 241 L N -0.436 120.767 121.223 -0.032 0.000 2.079 241 L HA -0.235 4.202 4.340 0.162 0.000 0.210 241 L C 1.899 178.661 176.870 -0.179 0.000 1.081 241 L CA 1.880 56.681 54.840 -0.065 0.000 0.752 241 L CB -0.509 41.517 42.059 -0.055 0.000 0.896 241 L HN 0.395 nan 8.230 nan 0.000 0.433 242 D N -0.620 119.690 120.400 -0.150 0.000 2.117 242 D HA -0.235 4.502 4.640 0.162 0.000 0.198 242 D C 1.930 178.172 176.300 -0.096 0.000 0.982 242 D CA 1.151 55.041 54.000 -0.183 0.000 0.828 242 D CB -0.010 40.806 40.800 0.028 0.000 0.967 242 D HN 0.424 nan 8.370 nan 0.000 0.464 243 E N -0.448 119.754 120.200 0.004 0.000 2.051 243 E HA -0.195 4.252 4.350 0.162 0.000 0.192 243 E C 1.972 178.646 176.600 0.124 0.000 0.991 243 E CA 0.612 57.064 56.400 0.086 0.000 0.799 243 E CB -0.146 29.647 29.700 0.155 0.000 0.748 243 E HN 0.110 nan 8.360 nan 0.000 0.449 244 F N 1.884 121.737 119.950 -0.162 0.000 2.102 244 F HA -0.078 4.546 4.527 0.162 0.000 0.298 244 F C 2.156 177.870 175.800 -0.142 0.000 1.105 244 F CA 1.500 59.377 58.000 -0.204 0.000 1.239 244 F CB -0.309 38.388 39.000 -0.506 0.000 0.991 244 F HN -0.079 nan 8.300 nan 0.000 0.474 245 R N -0.028 120.283 120.500 -0.314 0.000 2.189 245 R HA -0.133 4.304 4.340 0.162 0.000 0.223 245 R C 1.731 177.871 176.300 -0.266 0.000 1.092 245 R CA 1.260 57.060 56.100 -0.500 0.000 0.989 245 R CB -0.417 29.173 30.300 -1.183 0.000 0.876 245 R HN 0.283 nan 8.270 nan 0.000 0.457 246 D N 0.608 120.941 120.400 -0.111 0.000 2.123 246 D HA -0.065 4.672 4.640 0.162 0.000 0.200 246 D C 1.818 178.127 176.300 0.016 0.000 0.976 246 D CA 1.340 55.352 54.000 0.019 0.000 0.831 246 D CB -0.158 40.675 40.800 0.054 0.000 0.974 246 D HN 0.194 nan 8.370 nan 0.000 0.469 247 A N 0.698 123.535 122.820 0.027 0.000 1.933 247 A HA -0.120 4.297 4.320 0.162 0.000 0.218 247 A C 2.334 179.891 177.584 -0.046 0.000 1.175 247 A CA 0.831 52.897 52.037 0.048 0.000 0.628 247 A CB -0.690 18.415 19.000 0.175 0.000 0.814 247 A HN 0.198 nan 8.150 nan 0.000 0.444 248 I N -0.640 119.834 120.570 -0.159 0.000 2.286 248 I HA -0.265 4.002 4.170 0.162 0.000 0.248 248 I C 2.466 178.467 176.117 -0.192 0.000 1.115 248 I CA 1.437 62.561 61.300 -0.294 0.000 1.392 248 I CB -0.263 37.529 38.000 -0.347 0.000 1.065 248 I HN 0.289 nan 8.210 nan 0.000 0.418 249 K N 0.941 121.382 120.400 0.069 0.000 2.026 249 K HA -0.177 4.240 4.320 0.162 0.000 0.208 249 K C 2.325 178.983 176.600 0.097 0.000 1.048 249 K CA 1.612 58.016 56.287 0.195 0.000 0.929 249 K CB -0.305 32.314 32.500 0.199 0.000 0.713 249 K HN 0.309 nan 8.250 nan 0.000 0.439 250 A N 1.515 124.357 122.820 0.037 0.000 1.851 250 A HA -0.196 4.221 4.320 0.162 0.000 0.216 250 A C 2.178 179.768 177.584 0.010 0.000 1.195 250 A CA 1.541 53.590 52.037 0.021 0.000 0.622 250 A CB -0.884 18.120 19.000 0.007 0.000 0.831 250 A HN 0.189 nan 8.150 nan 0.000 0.444 251 L N -1.349 119.852 121.223 -0.036 0.000 2.042 251 L HA -0.247 4.190 4.340 0.162 0.000 0.210 251 L C 2.668 179.544 176.870 0.010 0.000 1.076 251 L CA 1.546 56.358 54.840 -0.047 0.000 0.749 251 L CB -0.762 41.230 42.059 -0.112 0.000 0.893 251 L HN 0.456 nan 8.230 nan 0.000 0.432 252 H N 0.016 119.090 119.070 0.007 0.000 2.387 252 H HA -0.087 4.566 4.556 0.162 0.000 0.299 252 H C 2.233 177.558 175.328 -0.005 0.000 1.090 252 H CA 0.919 56.963 56.048 -0.008 0.000 1.332 252 H CB -0.050 29.717 29.762 0.008 0.000 1.386 252 H HN 0.161 nan 8.280 nan 0.000 0.516 253 K N 0.627 121.108 120.400 0.134 0.000 2.147 253 K HA 0.034 4.451 4.320 0.162 0.000 0.205 253 K C 1.846 178.470 176.600 0.039 0.000 1.049 253 K CA 0.899 57.228 56.287 0.071 0.000 0.936 253 K CB -0.132 32.401 32.500 0.054 0.000 0.722 253 K HN 0.226 nan 8.250 nan 0.000 0.446 254 A N 0.024 122.865 122.820 0.034 0.000 2.278 254 A HA 0.286 4.703 4.320 0.162 0.000 0.212 254 A C 1.148 178.736 177.584 0.007 0.000 1.213 254 A CA 0.805 52.850 52.037 0.013 0.000 0.840 254 A CB -0.278 18.725 19.000 0.006 0.000 0.866 254 A HN 0.350 nan 8.150 nan 0.000 0.489 255 G N -0.676 108.136 108.800 0.020 0.000 2.147 255 G HA2 -0.228 3.829 3.960 0.162 0.000 0.244 255 G HA3 -0.228 3.829 3.960 0.162 0.000 0.244 255 G C -0.005 174.893 174.900 -0.003 0.000 1.005 255 G CA 0.434 45.533 45.100 -0.000 0.000 0.713 255 G HN 0.502 nan 8.290 nan 0.000 0.515 256 I N 0.607 121.193 120.570 0.027 0.000 2.377 256 I HA 0.385 4.652 4.170 0.162 0.000 0.293 256 I C 0.572 176.724 176.117 0.058 0.000 0.987 256 I CA -0.790 60.514 61.300 0.008 0.000 1.185 256 I CB 1.339 39.334 38.000 -0.008 0.000 1.341 256 I HN 0.120 nan 8.210 nan 0.000 0.455 257 E N 4.423 124.628 120.200 0.008 0.000 2.280 257 E HA 0.527 4.974 4.350 0.162 0.000 0.264 257 E C -1.151 175.435 176.600 -0.024 0.000 1.064 257 E CA -0.764 55.649 56.400 0.022 0.000 0.900 257 E CB 2.147 31.798 29.700 -0.083 0.000 1.123 257 E HN 0.237 nan 8.360 nan 0.000 0.418 258 V N 2.734 122.627 119.914 -0.036 0.000 2.483 258 V HA 0.378 4.595 4.120 0.162 0.000 0.297 258 V C -0.400 175.624 176.094 -0.117 0.000 1.027 258 V CA -0.562 61.697 62.300 -0.068 0.000 0.855 258 V CB 1.117 32.875 31.823 -0.109 0.000 0.995 258 V HN 0.501 nan 8.190 nan 0.000 0.424 259 I N 5.525 126.031 120.570 -0.106 0.000 2.406 259 I HA 0.455 4.722 4.170 0.162 0.000 0.290 259 I C -0.589 175.443 176.117 -0.142 0.000 0.999 259 I CA -0.522 60.675 61.300 -0.171 0.000 1.124 259 I CB 1.860 39.787 38.000 -0.122 0.000 1.289 259 I HN 0.346 nan 8.210 nan 0.000 0.441 260 L N 5.043 126.134 121.223 -0.220 0.000 2.275 260 L HA 0.362 4.799 4.340 0.162 0.000 0.288 260 L C -0.021 176.777 176.870 -0.120 0.000 1.046 260 L CA -0.565 54.184 54.840 -0.151 0.000 0.805 260 L CB 0.986 42.942 42.059 -0.172 0.000 1.193 260 L HN 0.532 nan 8.230 nan 0.000 0.426 261 D N 4.212 124.520 120.400 -0.153 0.000 2.351 261 D HA 0.380 5.117 4.640 0.162 0.000 0.251 261 D C -0.825 175.363 176.300 -0.186 0.000 1.137 261 D CA 0.186 54.088 54.000 -0.164 0.000 0.879 261 D CB 1.420 42.100 40.800 -0.201 0.000 1.181 261 D HN 0.399 nan 8.370 nan 0.000 0.448 262 I N 3.061 123.541 120.570 -0.149 0.000 2.722 262 I HA 0.302 4.569 4.170 0.162 0.000 0.295 262 I C -1.311 174.808 176.117 0.003 0.000 1.161 262 I CA -0.920 60.305 61.300 -0.124 0.000 1.032 262 I CB 2.079 39.980 38.000 -0.166 0.000 1.244 262 I HN 0.179 nan 8.210 nan 0.000 0.421 263 V N 7.246 127.172 119.914 0.020 0.000 2.384 263 V HA 0.532 4.749 4.120 0.162 0.000 0.287 263 V C -0.567 175.582 176.094 0.091 0.000 1.020 263 V CA -0.116 62.244 62.300 0.099 0.000 0.850 263 V CB 1.507 33.391 31.823 0.101 0.000 0.987 263 V HN 0.866 nan 8.190 nan 0.000 0.436 264 L N 4.120 125.439 121.223 0.162 0.000 2.966 264 L HA 0.279 4.716 4.340 0.162 0.000 0.262 264 L C 1.802 178.789 176.870 0.195 0.000 1.165 264 L CA 0.592 55.531 54.840 0.165 0.000 0.978 264 L CB 0.134 42.294 42.059 0.169 0.000 1.337 264 L HN 0.853 nan 8.230 nan 0.000 0.563 265 N N -0.668 118.169 118.700 0.228 0.000 2.446 265 N HA -0.080 4.757 4.740 0.162 0.000 0.179 265 N C 0.559 176.298 175.510 0.382 0.000 1.054 265 N CA 0.493 53.725 53.050 0.303 0.000 0.905 265 N CB 0.089 38.762 38.487 0.311 0.000 0.973 265 N HN 0.417 nan 8.380 nan 0.000 0.448 266 H N -2.555 116.635 119.070 0.200 0.000 2.967 266 H HA 0.475 5.127 4.556 0.160 0.000 0.318 266 H C -1.654 173.786 175.328 0.185 0.000 1.375 266 H CA -0.748 55.421 56.048 0.202 0.000 1.132 266 H CB 0.694 30.539 29.762 0.139 0.000 1.848 266 H HN 0.062 nan 8.280 nan 0.000 0.524 267 S N -0.333 115.450 115.700 0.137 0.000 2.726 267 S HA 0.675 5.242 4.470 0.162 0.000 0.308 267 S C 0.886 175.562 174.600 0.127 0.000 1.115 267 S CA -0.403 57.839 58.200 0.071 0.000 0.965 267 S CB 1.652 64.962 63.200 0.184 0.000 1.145 267 S HN 0.975 nan 8.310 nan 0.000 0.532 268 A N -0.200 122.696 122.820 0.127 0.000 2.255 268 A HA 0.162 4.579 4.320 0.162 0.000 0.206 268 A C 1.433 179.144 177.584 0.213 0.000 1.193 268 A CA 0.376 52.530 52.037 0.195 0.000 0.794 268 A CB -0.854 18.250 19.000 0.172 0.000 0.794 268 A HN 0.881 nan 8.150 nan 0.000 0.481 269 E N -0.261 120.018 120.200 0.132 0.000 2.435 269 E HA 0.183 4.630 4.350 0.162 0.000 0.195 269 E C 0.326 176.861 176.600 -0.107 0.000 1.029 269 E CA 0.049 56.435 56.400 -0.022 0.000 0.865 269 E CB -0.314 29.377 29.700 -0.015 0.000 0.833 269 E HN 0.622 nan 8.360 nan 0.000 0.510 270 L N 0.555 121.736 121.223 -0.071 0.000 6.828 270 L HA -0.352 4.085 4.340 0.162 0.000 0.053 270 L C 0.648 177.343 176.870 -0.291 0.000 1.638 270 L CA 1.459 56.231 54.840 -0.113 0.000 1.687 270 L CB -1.384 40.657 42.059 -0.030 0.000 2.704 270 L HN 0.261 nan 8.230 nan 0.000 1.061 271 D N -0.364 119.934 120.400 -0.171 0.000 2.425 271 D HA 0.325 5.062 4.640 0.162 0.000 0.274 271 D C 1.050 177.383 176.300 0.055 0.000 1.242 271 D CA -0.266 53.667 54.000 -0.111 0.000 1.060 271 D CB 0.108 40.913 40.800 0.009 0.000 1.112 271 D HN 0.497 nan 8.370 nan 0.000 0.561 272 L N -0.834 120.518 121.223 0.215 0.000 2.450 272 L HA -0.087 4.350 4.340 0.162 0.000 0.224 272 L C 1.023 177.983 176.870 0.150 0.000 1.149 272 L CA 1.086 56.025 54.840 0.165 0.000 0.816 272 L CB -0.382 41.736 42.059 0.098 0.000 0.932 272 L HN 0.345 nan 8.230 nan 0.000 0.449 273 D N -0.370 120.108 120.400 0.131 0.000 2.360 273 D HA 0.085 4.822 4.640 0.162 0.000 0.210 273 D C 1.109 177.441 176.300 0.053 0.000 1.047 273 D CA 0.305 54.360 54.000 0.092 0.000 0.854 273 D CB 0.363 41.207 40.800 0.073 0.000 0.936 273 D HN 0.241 nan 8.370 nan 0.000 0.514 274 G N 1.713 110.541 108.800 0.047 0.000 2.580 274 G HA2 0.354 4.411 3.960 0.162 0.000 0.278 274 G HA3 0.354 4.411 3.960 0.162 0.000 0.278 274 G C -2.427 172.446 174.900 -0.046 0.000 1.212 274 G CA -0.887 44.207 45.100 -0.010 0.000 0.939 274 G HN -0.099 nan 8.290 nan 0.000 0.513 275 P HA 0.127 nan 4.420 nan 0.000 0.272 275 P C -0.520 176.442 177.300 -0.562 0.000 1.223 275 P CA -0.279 62.559 63.100 -0.437 0.000 0.784 275 P CB 1.436 32.684 31.700 -0.754 0.000 0.923 276 L N 4.170 125.130 121.223 -0.438 0.000 2.257 276 L HA 0.275 4.712 4.340 0.162 0.000 0.290 276 L C 0.223 176.970 176.870 -0.206 0.000 1.044 276 L CA -0.326 54.361 54.840 -0.254 0.000 0.810 276 L CB -0.079 41.900 42.059 -0.133 0.000 1.193 276 L HN 0.435 nan 8.230 nan 0.000 0.425 277 F N 1.218 121.196 119.950 0.048 0.000 2.549 277 F HA 0.003 4.634 4.527 0.173 0.000 0.275 277 F C 1.663 177.496 175.800 0.054 0.000 0.990 277 F CA 0.440 58.480 58.000 0.066 0.000 1.274 277 F CB 0.768 39.790 39.000 0.036 0.000 1.064 277 F HN 0.639 nan 8.300 nan 0.000 0.715 278 S N -0.889 114.945 115.700 0.223 0.000 5.452 278 S HA 0.089 4.656 4.470 0.162 0.000 0.133 278 S C 1.031 175.639 174.600 0.013 0.000 1.088 278 S CA -0.103 58.161 58.200 0.107 0.000 1.304 278 S CB -0.397 62.843 63.200 0.068 0.000 2.087 278 S HN -0.064 nan 8.310 nan 0.000 0.718 279 L N 2.763 123.911 121.223 -0.125 0.000 2.054 279 L HA -0.060 4.378 4.340 0.162 0.000 0.220 279 L C 2.810 179.708 176.870 0.047 0.000 1.081 279 L CA 2.421 57.092 54.840 -0.283 0.000 0.780 279 L CB -1.363 40.363 42.059 -0.556 0.000 0.893 279 L HN 0.597 nan 8.230 nan 0.000 0.438 280 R N -0.601 120.002 120.500 0.171 0.000 2.091 280 R HA -0.146 4.291 4.340 0.162 0.000 0.238 280 R C 2.067 178.345 176.300 -0.036 0.000 1.136 280 R CA 1.626 57.813 56.100 0.146 0.000 0.959 280 R CB -0.583 29.776 30.300 0.098 0.000 0.856 280 R HN 0.452 nan 8.270 nan 0.000 0.437 281 G N -0.504 108.281 108.800 -0.024 0.000 2.880 281 G HA2 0.012 4.069 3.960 0.162 0.000 0.209 281 G HA3 0.012 4.069 3.960 0.162 0.000 0.209 281 G C 1.238 176.113 174.900 -0.041 0.000 1.157 281 G CA 0.015 45.079 45.100 -0.060 0.000 0.779 281 G HN 0.262 nan 8.290 nan 0.000 0.539 282 I N -0.640 119.937 120.570 0.010 0.000 2.628 282 I HA 0.162 4.429 4.170 0.162 0.000 0.255 282 I C 0.280 176.508 176.117 0.186 0.000 1.119 282 I CA 0.580 61.955 61.300 0.125 0.000 1.448 282 I CB 0.586 38.672 38.000 0.143 0.000 1.133 282 I HN -0.040 nan 8.210 nan 0.000 0.438 283 D N -0.310 120.153 120.400 0.106 0.000 3.171 283 D HA 0.011 4.748 4.640 0.162 0.000 0.240 283 D C 0.216 176.599 176.300 0.139 0.000 1.432 283 D CA -0.071 54.006 54.000 0.128 0.000 0.892 283 D CB -0.245 40.656 40.800 0.168 0.000 1.499 283 D HN -0.125 nan 8.370 nan 0.000 0.597 284 N N 0.726 119.406 118.700 -0.034 0.000 2.094 284 N HA -0.170 4.667 4.740 0.162 0.000 0.191 284 N C 1.696 177.275 175.510 0.114 0.000 1.023 284 N CA 1.228 54.350 53.050 0.121 0.000 0.857 284 N CB 0.240 38.697 38.487 -0.049 0.000 1.013 284 N HN 0.149 nan 8.380 nan 0.000 0.426 285 R N 0.061 120.550 120.500 -0.019 0.000 2.096 285 R HA 0.041 4.478 4.340 0.162 0.000 0.235 285 R C 1.919 178.222 176.300 0.006 0.000 1.127 285 R CA 1.130 57.178 56.100 -0.086 0.000 0.968 285 R CB -0.638 29.470 30.300 -0.320 0.000 0.861 285 R HN 0.297 nan 8.270 nan 0.000 0.440 286 S N -0.538 115.189 115.700 0.045 0.000 2.371 286 S HA -0.030 4.537 4.470 0.162 0.000 0.221 286 S C 1.772 176.121 174.600 -0.418 0.000 1.036 286 S CA 0.584 58.668 58.200 -0.194 0.000 0.965 286 S CB -0.333 62.775 63.200 -0.154 0.000 0.845 286 S HN 0.281 nan 8.310 nan 0.000 0.475 287 Y N 0.645 120.790 120.300 -0.257 0.000 2.224 287 Y HA 0.010 4.655 4.550 0.159 0.000 0.289 287 Y C 0.572 176.155 175.900 -0.528 0.000 1.146 287 Y CA 0.527 58.350 58.100 -0.462 0.000 1.182 287 Y CB -0.260 37.824 38.460 -0.627 0.000 0.983 287 Y HN 0.238 nan 8.280 nan 0.000 0.524 288 Y N -2.908 117.435 120.300 0.070 0.000 2.567 288 Y HA 0.241 4.896 4.550 0.174 0.000 0.333 288 Y C -0.724 175.166 175.900 -0.017 0.000 1.106 288 Y CA -1.953 56.190 58.100 0.071 0.000 1.157 288 Y CB 0.565 39.185 38.460 0.267 0.000 1.277 288 Y HN -0.191 nan 8.280 nan 0.000 0.490 289 W N 3.027 124.482 121.300 0.259 0.000 2.481 289 W HA 0.420 5.173 4.660 0.155 0.000 0.320 289 W C -1.142 175.460 176.519 0.137 0.000 1.209 289 W CA -0.138 57.272 57.345 0.108 0.000 1.400 289 W CB 0.121 29.449 29.460 -0.221 0.000 1.361 289 W HN 0.140 nan 8.180 nan 0.000 0.456 290 I N 5.118 125.875 120.570 0.311 0.000 2.437 290 I HA 0.321 4.588 4.170 0.162 0.000 0.298 290 I C 0.857 176.951 176.117 -0.037 0.000 0.984 290 I CA -0.997 60.313 61.300 0.017 0.000 1.214 290 I CB 0.764 38.699 38.000 -0.109 0.000 1.365 290 I HN 0.349 nan 8.210 nan 0.000 0.469 291 R N 4.834 125.085 120.500 -0.414 0.000 2.531 291 R HA 0.308 4.745 4.340 0.162 0.000 0.260 291 R C 0.803 177.027 176.300 -0.127 0.000 1.144 291 R CA -0.547 55.328 56.100 -0.375 0.000 1.171 291 R CB 0.202 30.142 30.300 -0.600 0.000 1.199 291 R HN 0.721 nan 8.270 nan 0.000 0.594 292 E N 0.182 120.357 120.200 -0.042 0.000 2.267 292 E HA -0.203 4.244 4.350 0.162 0.000 0.197 292 E C 0.059 176.617 176.600 -0.070 0.000 0.998 292 E CA 1.811 58.195 56.400 -0.026 0.000 0.830 292 E CB -0.012 29.694 29.700 0.011 0.000 0.751 292 E HN 0.682 nan 8.360 nan 0.000 0.491 293 D N -1.918 118.419 120.400 -0.106 0.000 2.342 293 D HA 0.122 4.859 4.640 0.162 0.000 0.221 293 D C 1.187 177.387 176.300 -0.167 0.000 1.101 293 D CA 0.615 54.546 54.000 -0.114 0.000 0.837 293 D CB 0.413 41.155 40.800 -0.096 0.000 0.938 293 D HN 0.238 nan 8.370 nan 0.000 0.508 294 G N -0.155 108.519 108.800 -0.210 0.000 2.253 294 G HA2 -0.305 3.752 3.960 0.162 0.000 0.251 294 G HA3 -0.305 3.752 3.960 0.162 0.000 0.251 294 G C 0.143 174.812 174.900 -0.385 0.000 0.998 294 G CA 0.261 45.188 45.100 -0.288 0.000 0.621 294 G HN 0.570 nan 8.290 nan 0.000 0.524 295 D N -0.312 119.884 120.400 -0.339 0.000 2.411 295 D HA 0.506 5.243 4.640 0.162 0.000 0.251 295 D C 0.542 176.574 176.300 -0.446 0.000 1.201 295 D CA -0.485 53.282 54.000 -0.388 0.000 0.996 295 D CB 0.249 40.921 40.800 -0.213 0.000 1.101 295 D HN 0.231 nan 8.370 nan 0.000 0.504 296 Y N -0.187 119.980 120.300 -0.221 0.000 2.301 296 Y HA 0.202 4.849 4.550 0.162 0.000 0.328 296 Y C 0.434 176.153 175.900 -0.301 0.000 1.242 296 Y CA -0.165 57.791 58.100 -0.240 0.000 1.323 296 Y CB 0.575 38.902 38.460 -0.222 0.000 1.266 296 Y HN 0.313 nan 8.280 nan 0.000 0.527 297 H N 1.266 120.253 119.070 -0.137 0.000 2.723 297 H HA 0.109 4.769 4.556 0.173 0.000 0.294 297 H C -0.144 174.923 175.328 -0.435 0.000 1.079 297 H CA -0.288 55.457 56.048 -0.505 0.000 1.411 297 H CB 0.445 29.414 29.762 -1.321 0.000 1.439 297 H HN 0.434 nan 8.280 nan 0.000 0.474 298 N N 4.027 122.677 118.700 -0.082 0.000 3.209 298 N HA -0.020 4.817 4.740 0.162 0.000 0.309 298 N C -0.018 175.602 175.510 0.185 0.000 1.384 298 N CA -0.308 52.755 53.050 0.022 0.000 1.173 298 N CB 0.000 38.514 38.487 0.045 0.000 1.460 298 N HN 0.626 nan 8.380 nan 0.000 0.534 299 W N -0.443 120.926 121.300 0.114 0.000 2.699 299 W HA 0.055 4.819 4.660 0.174 0.000 0.249 299 W C 1.732 178.297 176.519 0.078 0.000 1.280 299 W CA 0.770 58.160 57.345 0.075 0.000 1.345 299 W CB -1.214 28.264 29.460 0.030 0.000 1.128 299 W HN 0.359 nan 8.180 nan 0.000 0.642 300 T N -4.188 110.517 114.554 0.251 0.000 3.037 300 T HA 0.356 4.803 4.350 0.162 0.000 0.251 300 T C 1.760 176.485 174.700 0.041 0.000 1.079 300 T CA 0.700 62.882 62.100 0.137 0.000 1.067 300 T CB 0.147 69.056 68.868 0.069 0.000 0.948 300 T HN 0.185 nan 8.240 nan 0.000 0.496 301 G N 0.292 109.118 108.800 0.044 0.000 2.148 301 G HA2 -0.288 3.769 3.960 0.162 0.000 0.254 301 G HA3 -0.288 3.769 3.960 0.162 0.000 0.254 301 G C 0.763 175.614 174.900 -0.081 0.000 0.981 301 G CA 0.175 45.278 45.100 0.005 0.000 0.670 301 G HN 0.642 nan 8.290 nan 0.000 0.528 302 C N -0.657 118.541 119.300 -0.169 0.000 3.070 302 C HA 0.663 5.220 4.460 0.162 0.000 0.280 302 C C 2.249 177.142 174.990 -0.162 0.000 1.264 302 C CA 0.812 59.670 59.018 -0.267 0.000 1.690 302 C CB -0.415 26.848 27.740 -0.795 0.000 2.049 302 C HN 1.873 nan 8.230 nan 0.000 0.636 303 G N 1.940 110.661 108.800 -0.132 0.000 2.796 303 G HA2 -0.138 3.919 3.960 0.162 0.000 0.198 303 G HA3 -0.138 3.919 3.960 0.162 0.000 0.198 303 G C -0.278 174.449 174.900 -0.288 0.000 1.062 303 G CA 0.176 45.182 45.100 -0.157 0.000 0.752 303 G HN 0.620 nan 8.290 nan 0.000 0.487 304 N N -0.580 117.946 118.700 -0.288 0.000 2.647 304 N HA 0.701 5.538 4.740 0.162 0.000 0.266 304 N C -1.229 174.291 175.510 0.017 0.000 1.373 304 N CA -0.087 52.729 53.050 -0.391 0.000 0.807 304 N CB 1.685 39.547 38.487 -1.042 0.000 1.513 304 N HN 0.119 nan 8.380 nan 0.000 0.505 305 T N 0.777 115.445 114.554 0.191 0.000 2.949 305 T HA 0.365 4.812 4.350 0.162 0.000 0.300 305 T C -0.595 174.439 174.700 0.556 0.000 0.988 305 T CA -0.462 61.870 62.100 0.385 0.000 0.993 305 T CB 0.587 69.658 68.868 0.339 0.000 0.984 305 T HN 0.378 nan 8.240 nan 0.000 0.442 306 L N 3.380 124.880 121.223 0.462 0.000 2.485 306 L HA 0.236 4.673 4.340 0.162 0.000 0.275 306 L C 1.016 178.011 176.870 0.208 0.000 1.207 306 L CA 0.020 55.011 54.840 0.252 0.000 0.855 306 L CB 0.261 42.425 42.059 0.174 0.000 1.114 306 L HN 0.550 nan 8.230 nan 0.000 0.485 307 N N 3.369 121.965 118.700 -0.172 0.000 2.663 307 N HA 0.087 4.924 4.740 0.162 0.000 0.250 307 N C 0.442 175.872 175.510 -0.133 0.000 1.129 307 N CA 0.087 52.779 53.050 -0.595 0.000 0.995 307 N CB 0.192 38.002 38.487 -1.128 0.000 1.324 307 N HN 0.577 nan 8.380 nan 0.000 0.512 308 L N 1.373 122.673 121.223 0.129 0.000 2.675 308 L HA -0.030 4.407 4.340 0.162 0.000 0.238 308 L C 1.617 178.502 176.870 0.026 0.000 1.155 308 L CA 0.353 55.242 54.840 0.081 0.000 0.881 308 L CB -0.357 41.753 42.059 0.085 0.000 1.008 308 L HN 0.483 nan 8.230 nan 0.000 0.443 309 S N -3.213 112.518 115.700 0.052 0.000 2.511 309 S HA -0.016 4.551 4.470 0.162 0.000 0.214 309 S C 0.908 175.491 174.600 -0.028 0.000 0.997 309 S CA -0.383 57.833 58.200 0.026 0.000 0.908 309 S CB -0.145 63.148 63.200 0.156 0.000 0.803 309 S HN 0.367 nan 8.310 nan 0.000 0.504 310 H N 4.674 123.642 119.070 -0.169 0.000 2.848 310 H HA 0.212 4.866 4.556 0.163 0.000 0.317 310 H C -1.559 173.667 175.328 -0.170 0.000 1.046 310 H CA -1.266 54.669 56.048 -0.188 0.000 1.470 310 H CB 1.445 31.047 29.762 -0.266 0.000 1.483 310 H HN 0.096 nan 8.280 nan 0.000 0.548 311 P HA -0.222 nan 4.420 nan 0.000 0.216 311 P C 1.052 178.304 177.300 -0.080 0.000 1.154 311 P CA 2.046 65.061 63.100 -0.143 0.000 0.865 311 P CB 0.102 31.681 31.700 -0.202 0.000 0.789 312 A N -0.522 122.275 122.820 -0.038 0.000 1.968 312 A HA -0.034 4.383 4.320 0.162 0.000 0.217 312 A C 2.446 179.805 177.584 -0.376 0.000 1.169 312 A CA 1.370 53.148 52.037 -0.433 0.000 0.638 312 A CB -1.364 16.818 19.000 -1.364 0.000 0.812 312 A HN 0.098 nan 8.150 nan 0.000 0.446 313 V N -0.528 119.253 119.914 -0.221 0.000 2.453 313 V HA -0.167 4.050 4.120 0.162 0.000 0.247 313 V C 2.514 178.666 176.094 0.096 0.000 1.048 313 V CA 1.690 63.940 62.300 -0.084 0.000 1.049 313 V CB -0.629 31.126 31.823 -0.113 0.000 0.672 313 V HN 0.343 nan 8.190 nan 0.000 0.457 314 V N 0.310 120.244 119.914 0.033 0.000 2.343 314 V HA -0.256 3.961 4.120 0.162 0.000 0.247 314 V C 2.320 178.451 176.094 0.063 0.000 1.051 314 V CA 2.171 64.492 62.300 0.035 0.000 1.036 314 V CB -0.669 31.150 31.823 -0.007 0.000 0.654 314 V HN 0.534 nan 8.190 nan 0.000 0.451 315 D N -0.951 119.478 120.400 0.049 0.000 2.092 315 D HA -0.215 4.522 4.640 0.162 0.000 0.193 315 D C 1.926 178.318 176.300 0.153 0.000 0.994 315 D CA 1.807 55.851 54.000 0.074 0.000 0.828 315 D CB -0.422 40.401 40.800 0.038 0.000 0.963 315 D HN 0.564 nan 8.370 nan 0.000 0.450 316 Y N 1.600 121.939 120.300 0.065 0.000 2.081 316 Y HA -0.283 4.366 4.550 0.164 0.000 0.280 316 Y C 2.212 178.250 175.900 0.230 0.000 1.163 316 Y CA 2.259 60.471 58.100 0.186 0.000 1.135 316 Y CB -0.571 38.004 38.460 0.193 0.000 0.970 316 Y HN -0.039 nan 8.280 nan 0.000 0.498 317 A N 0.094 122.988 122.820 0.124 0.000 1.845 317 A HA -0.234 4.183 4.320 0.162 0.000 0.215 317 A C 2.506 180.069 177.584 -0.035 0.000 1.195 317 A CA 2.811 54.843 52.037 -0.009 0.000 0.616 317 A CB -1.627 17.432 19.000 0.100 0.000 0.832 317 A HN 0.663 nan 8.150 nan 0.000 0.443 318 S N 0.212 115.932 115.700 0.034 0.000 2.400 318 S HA -0.012 4.555 4.470 0.162 0.000 0.232 318 S C 2.010 176.653 174.600 0.071 0.000 1.025 318 S CA 1.490 59.722 58.200 0.053 0.000 0.993 318 S CB -0.672 62.570 63.200 0.070 0.000 0.808 318 S HN 0.968 nan 8.310 nan 0.000 0.478 319 A N 0.595 123.471 122.820 0.094 0.000 1.930 319 A HA -0.038 4.379 4.320 0.162 0.000 0.217 319 A C 2.551 180.220 177.584 0.142 0.000 1.175 319 A CA 1.232 53.374 52.037 0.175 0.000 0.627 319 A CB -1.527 17.628 19.000 0.258 0.000 0.815 319 A HN 0.750 nan 8.150 nan 0.000 0.443 320 C N -0.416 118.812 119.300 -0.119 0.000 2.453 320 C HA -0.006 4.551 4.460 0.162 0.000 0.277 320 C C 2.590 177.525 174.990 -0.092 0.000 1.262 320 C CA 1.144 59.789 59.018 -0.621 0.000 1.718 320 C CB -1.507 25.774 27.740 -0.766 0.000 2.031 320 C HN 0.583 nan 8.230 nan 0.000 0.480 321 L N 0.312 121.517 121.223 -0.030 0.000 2.083 321 L HA -0.124 4.313 4.340 0.162 0.000 0.209 321 L C 3.028 180.066 176.870 0.279 0.000 1.083 321 L CA 1.772 56.616 54.840 0.006 0.000 0.752 321 L CB -0.823 41.159 42.059 -0.128 0.000 0.899 321 L HN 0.382 nan 8.230 nan 0.000 0.433 322 R N -0.842 119.778 120.500 0.200 0.000 2.092 322 R HA -0.224 4.213 4.340 0.162 0.000 0.231 322 R C 2.442 178.870 176.300 0.214 0.000 1.119 322 R CA 1.560 57.785 56.100 0.208 0.000 0.970 322 R CB -0.350 30.050 30.300 0.168 0.000 0.864 322 R HN 0.255 nan 8.270 nan 0.000 0.440 323 Y N -0.226 120.108 120.300 0.056 0.000 2.128 323 Y HA -0.274 4.373 4.550 0.162 0.000 0.284 323 Y C 1.521 177.373 175.900 -0.080 0.000 1.154 323 Y CA 1.872 59.945 58.100 -0.046 0.000 1.149 323 Y CB -0.642 37.700 38.460 -0.196 0.000 0.976 323 Y HN 0.097 nan 8.280 nan 0.000 0.505 324 W N -0.794 120.545 121.300 0.066 0.000 2.392 324 W HA -0.127 4.629 4.660 0.160 0.000 0.279 324 W C 2.331 178.859 176.519 0.015 0.000 1.225 324 W CA 1.407 58.773 57.345 0.034 0.000 1.233 324 W CB -0.438 29.214 29.460 0.320 0.000 1.122 324 W HN -0.098 nan 8.180 nan 0.000 0.561 325 V N -0.139 119.930 119.914 0.258 0.000 2.379 325 V HA -0.168 4.049 4.120 0.162 0.000 0.243 325 V C 1.885 178.001 176.094 0.037 0.000 1.035 325 V CA 1.762 64.127 62.300 0.109 0.000 1.035 325 V CB -0.609 31.289 31.823 0.126 0.000 0.673 325 V HN 0.108 nan 8.190 nan 0.000 0.457 326 E N 0.017 120.242 120.200 0.042 0.000 2.107 326 E HA -0.125 4.322 4.350 0.162 0.000 0.191 326 E C 2.180 178.837 176.600 0.094 0.000 0.982 326 E CA 1.685 58.114 56.400 0.048 0.000 0.809 326 E CB -0.128 29.611 29.700 0.066 0.000 0.756 326 E HN 0.514 nan 8.360 nan 0.000 0.459 327 T N -0.456 114.054 114.554 -0.073 0.000 3.031 327 T HA -0.019 4.428 4.350 0.162 0.000 0.254 327 T C 1.761 176.461 174.700 -0.001 0.000 1.060 327 T CA 0.347 62.384 62.100 -0.104 0.000 1.135 327 T CB 0.071 68.610 68.868 -0.549 0.000 0.896 327 T HN 0.193 nan 8.240 nan 0.000 0.472 328 C N 0.239 119.506 119.300 -0.056 0.000 2.865 328 C HA 0.287 4.844 4.460 0.162 0.000 0.280 328 C C 0.827 175.865 174.990 0.080 0.000 1.255 328 C CA -0.193 58.878 59.018 0.089 0.000 1.705 328 C CB -1.024 26.818 27.740 0.169 0.000 2.080 328 C HN 0.770 nan 8.230 nan 0.000 0.591 329 H N -0.686 118.257 119.070 -0.212 0.000 2.862 329 H HA -0.147 4.506 4.556 0.161 0.000 0.290 329 H C 0.427 175.661 175.328 -0.158 0.000 1.211 329 H CA 0.104 55.945 56.048 -0.344 0.000 1.140 329 H CB -1.842 27.444 29.762 -0.794 0.000 1.341 329 H HN 0.517 nan 8.280 nan 0.000 0.392 330 V N -2.041 117.854 119.914 -0.032 0.000 3.237 330 V HA 0.038 4.255 4.120 0.162 0.000 0.305 330 V C 1.192 177.172 176.094 -0.189 0.000 1.096 330 V CA 0.364 62.586 62.300 -0.129 0.000 1.130 330 V CB 1.363 33.039 31.823 -0.244 0.000 1.048 330 V HN 0.219 nan 8.190 nan 0.000 0.484 331 D N 1.328 121.607 120.400 -0.202 0.000 2.349 331 D HA 0.379 5.116 4.640 0.162 0.000 0.214 331 D C 0.670 176.803 176.300 -0.280 0.000 1.063 331 D CA 1.249 55.122 54.000 -0.212 0.000 0.847 331 D CB 1.183 41.895 40.800 -0.147 0.000 0.933 331 D HN 1.003 nan 8.370 nan 0.000 0.513 332 G N 0.070 108.611 108.800 -0.432 0.000 2.322 332 G HA2 0.392 4.449 3.960 0.162 0.000 0.295 332 G HA3 0.392 4.449 3.960 0.162 0.000 0.295 332 G C -1.968 172.517 174.900 -0.691 0.000 1.369 332 G CA -0.896 43.951 45.100 -0.422 0.000 0.821 332 G HN -0.033 nan 8.290 nan 0.000 0.536 333 F N -0.558 119.273 119.950 -0.198 0.000 2.603 333 F HA 0.851 5.476 4.527 0.163 0.000 0.317 333 F C 0.203 175.713 175.800 -0.483 0.000 1.066 333 F CA -0.906 56.837 58.000 -0.428 0.000 0.941 333 F CB 2.738 41.299 39.000 -0.732 0.000 1.291 333 F HN 0.532 nan 8.300 nan 0.000 0.472 334 R N 1.729 122.044 120.500 -0.308 0.000 2.422 334 R HA 0.520 4.957 4.340 0.162 0.000 0.307 334 R C -2.275 173.817 176.300 -0.347 0.000 1.004 334 R CA -0.515 55.449 56.100 -0.227 0.000 0.882 334 R CB -0.103 30.154 30.300 -0.071 0.000 1.164 334 R HN 0.383 nan 8.270 nan 0.000 0.489 335 F N 2.671 122.642 119.950 0.034 0.000 2.421 335 F HA 0.220 4.843 4.527 0.161 0.000 0.358 335 F C 0.762 176.476 175.800 -0.143 0.000 1.115 335 F CA -0.518 57.488 58.000 0.010 0.000 1.160 335 F CB 0.871 39.962 39.000 0.150 0.000 1.123 335 F HN 0.569 nan 8.300 nan 0.000 0.508 336 D N 3.604 124.025 120.400 0.036 0.000 2.424 336 D HA 0.164 4.901 4.640 0.162 0.000 0.244 336 D C 0.429 176.680 176.300 -0.080 0.000 1.134 336 D CA -0.074 53.868 54.000 -0.097 0.000 0.881 336 D CB 0.546 41.390 40.800 0.074 0.000 1.191 336 D HN 0.613 nan 8.370 nan 0.000 0.445 337 L N 2.028 123.071 121.223 -0.301 0.000 3.854 337 L HA -0.313 4.124 4.340 0.162 0.000 0.460 337 L C 1.484 178.339 176.870 -0.025 0.000 1.228 337 L CA 0.154 54.848 54.840 -0.243 0.000 0.760 337 L CB -1.619 40.405 42.059 -0.057 0.000 1.597 337 L HN 0.620 nan 8.230 nan 0.000 0.852 338 A N 0.302 123.106 122.820 -0.027 0.000 2.024 338 A HA -0.092 4.325 4.320 0.162 0.000 0.220 338 A C 2.391 180.234 177.584 0.432 0.000 1.164 338 A CA 1.982 54.157 52.037 0.229 0.000 0.643 338 A CB -0.220 18.905 19.000 0.208 0.000 0.806 338 A HN 0.829 nan 8.150 nan 0.000 0.451 339 A N -0.472 122.566 122.820 0.364 0.000 2.032 339 A HA -0.074 4.343 4.320 0.162 0.000 0.221 339 A C 2.108 179.895 177.584 0.338 0.000 1.165 339 A CA 1.826 54.050 52.037 0.312 0.000 0.645 339 A CB -0.873 18.170 19.000 0.073 0.000 0.807 339 A HN 0.472 nan 8.150 nan 0.000 0.453 340 V N -0.286 119.787 119.914 0.264 0.000 2.594 340 V HA -0.307 3.910 4.120 0.162 0.000 0.253 340 V C 2.484 178.691 176.094 0.187 0.000 1.069 340 V CA 2.072 64.535 62.300 0.271 0.000 1.082 340 V CB -0.788 31.218 31.823 0.306 0.000 0.680 340 V HN 0.617 nan 8.190 nan 0.000 0.469 341 M N 0.370 120.020 119.600 0.084 0.000 2.229 341 M HA -0.045 4.532 4.480 0.162 0.000 0.264 341 M C 2.042 177.942 176.300 -0.667 0.000 1.063 341 M CA 1.973 57.133 55.300 -0.234 0.000 1.114 341 M CB -0.540 31.897 32.600 -0.272 0.000 1.387 341 M HN 0.444 nan 8.290 nan 0.000 0.420 342 G N -0.413 108.103 108.800 -0.473 0.000 2.986 342 G HA2 0.063 4.120 3.960 0.162 0.000 0.213 342 G HA3 0.063 4.120 3.960 0.162 0.000 0.213 342 G C 0.527 175.199 174.900 -0.379 0.000 1.156 342 G CA -0.392 44.217 45.100 -0.819 0.000 0.763 342 G HN 0.266 nan 8.290 nan 0.000 0.547 343 R N 2.065 122.559 120.500 -0.011 0.000 2.357 343 R HA 0.230 4.667 4.340 0.162 0.000 0.330 343 R C 1.081 177.484 176.300 0.172 0.000 1.102 343 R CA 0.233 56.365 56.100 0.054 0.000 0.974 343 R CB 0.241 30.585 30.300 0.075 0.000 1.002 343 R HN 0.393 nan 8.270 nan 0.000 0.463 344 T N 0.311 114.912 114.554 0.077 0.000 3.717 344 T HA 0.214 4.661 4.350 0.162 0.000 0.326 344 T C -1.327 173.444 174.700 0.118 0.000 1.248 344 T CA -0.926 61.322 62.100 0.246 0.000 0.896 344 T CB -0.045 68.875 68.868 0.087 0.000 2.155 344 T HN 0.192 nan 8.240 nan 0.000 0.537 345 P HA 0.036 nan 4.420 nan 0.000 0.215 345 P C 0.194 177.298 177.300 -0.326 0.000 1.157 345 P CA 1.344 64.307 63.100 -0.229 0.000 0.863 345 P CB -0.104 31.569 31.700 -0.045 0.000 0.787 346 E N -1.155 118.944 120.200 -0.168 0.000 2.232 346 E HA 0.388 4.835 4.350 0.162 0.000 0.265 346 E C -0.618 175.937 176.600 -0.075 0.000 1.001 346 E CA -1.008 55.302 56.400 -0.150 0.000 0.870 346 E CB 0.224 29.870 29.700 -0.091 0.000 1.175 346 E HN -0.078 nan 8.360 nan 0.000 0.407 347 F N 2.097 121.948 119.950 -0.165 0.000 2.504 347 F HA 0.231 4.854 4.527 0.160 0.000 0.369 347 F C -0.133 175.614 175.800 -0.087 0.000 1.082 347 F CA 0.159 58.084 58.000 -0.124 0.000 1.216 347 F CB 0.370 39.296 39.000 -0.123 0.000 1.108 347 F HN 0.085 nan 8.300 nan 0.000 0.554 348 R N 5.498 125.544 120.500 -0.755 0.000 2.532 348 R HA 0.092 4.529 4.340 0.162 0.000 0.297 348 R C 0.411 176.353 176.300 -0.597 0.000 0.984 348 R CA -0.630 55.173 56.100 -0.494 0.000 0.884 348 R CB 1.743 31.894 30.300 -0.248 0.000 1.182 348 R HN 0.822 nan 8.270 nan 0.000 0.442 349 Q N 1.071 120.627 119.800 -0.407 0.000 2.437 349 Q HA -0.126 4.311 4.340 0.162 0.000 0.210 349 Q C 0.315 176.250 176.000 -0.108 0.000 0.972 349 Q CA 1.541 57.142 55.803 -0.338 0.000 0.903 349 Q CB 0.444 29.041 28.738 -0.234 0.000 0.967 349 Q HN 0.541 nan 8.270 nan 0.000 0.486 350 D N -1.267 119.093 120.400 -0.067 0.000 2.424 350 D HA 0.128 4.865 4.640 0.162 0.000 0.220 350 D C -0.066 176.228 176.300 -0.010 0.000 1.150 350 D CA -0.081 53.915 54.000 -0.007 0.000 0.831 350 D CB 0.070 40.851 40.800 -0.032 0.000 0.981 350 D HN 0.125 nan 8.370 nan 0.000 0.500 351 A N 1.919 124.709 122.820 -0.050 0.000 2.507 351 A HA 0.209 4.626 4.320 0.162 0.000 0.235 351 A C -1.235 176.261 177.584 -0.146 0.000 1.070 351 A CA -0.667 51.260 52.037 -0.182 0.000 0.768 351 A CB 0.237 18.977 19.000 -0.434 0.000 1.011 351 A HN -0.044 nan 8.150 nan 0.000 0.502 352 P HA -0.228 nan 4.420 nan 0.000 0.217 352 P C 1.652 178.901 177.300 -0.085 0.000 1.162 352 P CA 1.192 64.243 63.100 -0.082 0.000 0.901 352 P CB 0.016 31.671 31.700 -0.075 0.000 0.793 353 L N -2.496 118.617 121.223 -0.183 0.000 2.046 353 L HA -0.202 4.236 4.340 0.162 0.000 0.208 353 L C 2.315 179.164 176.870 -0.035 0.000 1.077 353 L CA 1.758 56.502 54.840 -0.159 0.000 0.747 353 L CB -0.593 41.291 42.059 -0.291 0.000 0.896 353 L HN -0.081 nan 8.230 nan 0.000 0.432 354 F N 0.216 120.136 119.950 -0.050 0.000 2.102 354 F HA -0.235 4.390 4.527 0.163 0.000 0.298 354 F C 2.967 178.792 175.800 0.042 0.000 1.105 354 F CA 1.750 59.744 58.000 -0.010 0.000 1.239 354 F CB -1.638 37.277 39.000 -0.142 0.000 0.991 354 F HN 0.236 nan 8.300 nan 0.000 0.474 355 T N -1.572 113.094 114.554 0.188 0.000 2.867 355 T HA -0.067 4.380 4.350 0.162 0.000 0.268 355 T C 2.105 176.866 174.700 0.102 0.000 1.057 355 T CA 1.101 63.272 62.100 0.119 0.000 1.136 355 T CB -0.694 68.211 68.868 0.062 0.000 0.874 355 T HN 0.164 nan 8.240 nan 0.000 0.466 356 A N 1.282 124.153 122.820 0.086 0.000 1.930 356 A HA 0.201 4.618 4.320 0.162 0.000 0.217 356 A C 2.407 180.055 177.584 0.107 0.000 1.175 356 A CA 1.203 53.284 52.037 0.075 0.000 0.627 356 A CB -0.702 18.328 19.000 0.049 0.000 0.815 356 A HN 0.610 nan 8.150 nan 0.000 0.443 357 I N -0.548 120.116 120.570 0.156 0.000 2.286 357 I HA -0.274 3.993 4.170 0.162 0.000 0.245 357 I C 2.662 178.881 176.117 0.169 0.000 1.104 357 I CA 1.321 62.733 61.300 0.187 0.000 1.397 357 I CB -0.417 37.756 38.000 0.288 0.000 1.072 357 I HN 0.444 nan 8.210 nan 0.000 0.417 358 Q N 0.466 120.375 119.800 0.182 0.000 2.224 358 Q HA -0.117 4.320 4.340 0.162 0.000 0.203 358 Q C 1.419 177.479 176.000 0.099 0.000 0.970 358 Q CA 1.004 56.893 55.803 0.143 0.000 0.865 358 Q CB -0.095 28.731 28.738 0.147 0.000 0.922 358 Q HN 0.516 nan 8.270 nan 0.000 0.445 359 N N -0.232 118.522 118.700 0.089 0.000 2.353 359 N HA 0.010 4.847 4.740 0.162 0.000 0.185 359 N C -0.103 175.445 175.510 0.063 0.000 1.098 359 N CA 0.107 53.197 53.050 0.066 0.000 0.872 359 N CB 0.251 38.771 38.487 0.055 0.000 0.970 359 N HN 0.113 nan 8.380 nan 0.000 0.467 360 C N 4.379 123.725 119.300 0.077 0.000 2.555 360 C HA 0.199 4.756 4.460 0.162 0.000 0.385 360 C C -0.593 174.436 174.990 0.065 0.000 1.296 360 C CA -1.664 57.398 59.018 0.073 0.000 1.757 360 C CB 0.442 28.236 27.740 0.091 0.000 2.445 360 C HN 0.284 nan 8.230 nan 0.000 0.571 361 P HA -0.113 nan 4.420 nan 0.000 0.219 361 P C 1.439 178.759 177.300 0.034 0.000 1.146 361 P CA 1.533 64.655 63.100 0.037 0.000 0.808 361 P CB 0.150 31.866 31.700 0.026 0.000 0.779 362 V N 0.272 120.212 119.914 0.045 0.000 2.331 362 V HA -0.135 4.082 4.120 0.162 0.000 0.242 362 V C 2.821 178.955 176.094 0.067 0.000 1.034 362 V CA 1.265 63.590 62.300 0.041 0.000 1.027 362 V CB -1.177 30.676 31.823 0.050 0.000 0.667 362 V HN -0.037 nan 8.190 nan 0.000 0.457 363 L N 1.216 122.503 121.223 0.107 0.000 2.131 363 L HA -0.125 4.312 4.340 0.162 0.000 0.210 363 L C 2.540 179.480 176.870 0.116 0.000 1.092 363 L CA 1.697 56.627 54.840 0.151 0.000 0.759 363 L CB -0.752 41.415 42.059 0.180 0.000 0.903 363 L HN 0.539 nan 8.230 nan 0.000 0.435 364 S N -0.982 114.771 115.700 0.088 0.000 2.555 364 S HA -0.180 4.387 4.470 0.162 0.000 0.230 364 S C 1.804 176.438 174.600 0.056 0.000 0.978 364 S CA 0.593 58.837 58.200 0.073 0.000 0.934 364 S CB -0.148 63.093 63.200 0.069 0.000 0.766 364 S HN 0.536 nan 8.310 nan 0.000 0.533 365 Q N 1.442 121.268 119.800 0.043 0.000 2.384 365 Q HA 0.125 4.562 4.340 0.162 0.000 0.207 365 Q C 0.673 176.673 176.000 0.001 0.000 0.904 365 Q CA 0.338 56.150 55.803 0.015 0.000 0.933 365 Q CB 0.314 29.044 28.738 -0.013 0.000 1.077 365 Q HN 0.622 nan 8.270 nan 0.000 0.522 366 V N -1.427 118.499 119.914 0.020 0.000 3.211 366 V HA 0.500 4.717 4.120 0.162 0.000 0.319 366 V C -0.225 175.888 176.094 0.031 0.000 1.096 366 V CA -1.128 61.163 62.300 -0.014 0.000 1.029 366 V CB 1.206 33.010 31.823 -0.031 0.000 1.137 366 V HN -0.034 nan 8.190 nan 0.000 0.453 367 K N 1.831 122.218 120.400 -0.021 0.000 2.339 367 K HA 0.516 4.933 4.320 0.162 0.000 0.286 367 K C -1.080 175.598 176.600 0.130 0.000 1.050 367 K CA -0.037 56.305 56.287 0.092 0.000 0.956 367 K CB 0.655 33.066 32.500 -0.149 0.000 0.990 367 K HN 0.542 nan 8.250 nan 0.000 0.475 368 L N 5.779 127.113 121.223 0.185 0.000 2.316 368 L HA 0.503 4.940 4.340 0.162 0.000 0.280 368 L C -0.415 176.575 176.870 0.200 0.000 1.006 368 L CA -0.559 54.310 54.840 0.049 0.000 0.836 368 L CB 0.873 42.608 42.059 -0.539 0.000 1.221 368 L HN 0.458 nan 8.230 nan 0.000 0.418 369 I N 2.628 123.382 120.570 0.308 0.000 2.509 369 I HA 0.748 5.015 4.170 0.162 0.000 0.293 369 I C -0.107 176.246 176.117 0.393 0.000 1.020 369 I CA -0.497 61.012 61.300 0.349 0.000 1.088 369 I CB 2.179 40.361 38.000 0.303 0.000 1.267 369 I HN 0.637 nan 8.210 nan 0.000 0.430 370 A N 4.435 127.415 122.820 0.267 0.000 2.374 370 A HA 0.549 4.966 4.320 0.162 0.000 0.317 370 A C -0.682 176.717 177.584 -0.308 0.000 1.094 370 A CA -0.563 51.480 52.037 0.009 0.000 0.765 370 A CB 1.477 20.298 19.000 -0.299 0.000 1.268 370 A HN 0.764 nan 8.150 nan 0.000 0.438 371 E N 3.044 122.961 120.200 -0.472 0.000 1.993 371 E HA 0.283 4.730 4.350 0.162 0.000 0.271 371 E C -2.211 173.972 176.600 -0.694 0.000 1.008 371 E CA -2.058 53.938 56.400 -0.673 0.000 0.814 371 E CB 0.628 29.767 29.700 -0.935 0.000 1.098 371 E HN 0.328 nan 8.360 nan 0.000 0.407 372 P HA 0.038 nan 4.420 nan 0.000 0.241 372 P C -1.067 176.232 177.300 -0.001 0.000 1.760 372 P CA 0.136 62.931 63.100 -0.508 0.000 1.081 372 P CB -0.838 30.598 31.700 -0.441 0.000 1.975 373 W N 1.317 122.575 121.300 -0.070 0.000 3.094 373 W HA 0.280 5.036 4.660 0.159 0.000 0.359 373 W C -1.739 174.787 176.519 0.012 0.000 0.954 373 W CA -0.707 56.606 57.345 -0.052 0.000 1.002 373 W CB -0.087 29.340 29.460 -0.054 0.000 1.479 373 W HN 0.155 nan 8.180 nan 0.000 0.544 374 D N -0.705 119.991 120.400 0.494 0.000 2.744 374 D HA 0.525 5.262 4.640 0.162 0.000 0.304 374 D C 0.249 176.805 176.300 0.427 0.000 1.179 374 D CA -0.444 53.800 54.000 0.406 0.000 1.024 374 D CB 0.957 41.897 40.800 0.232 0.000 1.453 374 D HN 0.325 nan 8.370 nan 0.000 0.529 375 I N -2.593 118.156 120.570 0.299 0.000 3.875 375 I HA 0.579 4.846 4.170 0.162 0.000 0.329 375 I C 0.502 176.682 176.117 0.106 0.000 1.295 375 I CA -0.569 60.841 61.300 0.183 0.000 1.129 375 I CB -0.324 37.773 38.000 0.163 0.000 1.008 375 I HN 0.469 nan 8.210 nan 0.000 0.413 376 A N 2.468 125.334 122.820 0.077 0.000 2.279 376 A HA 0.720 5.137 4.320 0.162 0.000 0.303 376 A C -2.362 175.155 177.584 -0.112 0.000 1.108 376 A CA -1.491 50.524 52.037 -0.037 0.000 0.830 376 A CB -0.271 18.572 19.000 -0.263 0.000 1.106 376 A HN 0.213 nan 8.150 nan 0.000 0.493 377 P HA 0.162 nan 4.420 nan 0.000 0.263 377 P C 0.748 177.947 177.300 -0.169 0.000 1.195 377 P CA 1.603 64.634 63.100 -0.116 0.000 0.762 377 P CB 0.636 32.279 31.700 -0.095 0.000 0.799 378 G N 2.653 111.392 108.800 -0.102 0.000 2.157 378 G HA2 -0.212 3.845 3.960 0.162 0.000 0.239 378 G HA3 -0.212 3.845 3.960 0.162 0.000 0.239 378 G C 0.877 175.719 174.900 -0.096 0.000 0.982 378 G CA 0.026 45.067 45.100 -0.098 0.000 0.650 378 G HN 0.787 nan 8.290 nan 0.000 0.527 379 G N -0.719 108.042 108.800 -0.065 0.000 3.042 379 G HA2 0.340 4.397 3.960 0.162 0.000 0.212 379 G HA3 0.340 4.397 3.960 0.162 0.000 0.212 379 G C 0.427 175.365 174.900 0.065 0.000 1.166 379 G CA 0.359 45.441 45.100 -0.029 0.000 0.767 379 G HN 0.680 nan 8.290 nan 0.000 0.546 380 Y N 2.071 122.340 120.300 -0.052 0.000 2.613 380 Y HA 0.333 4.980 4.550 0.161 0.000 0.354 380 Y C 0.492 176.358 175.900 -0.057 0.000 1.063 380 Y CA -0.622 57.469 58.100 -0.015 0.000 1.384 380 Y CB 0.734 39.161 38.460 -0.055 0.000 1.199 380 Y HN 0.034 nan 8.280 nan 0.000 0.517 381 Q N 5.084 124.666 119.800 -0.363 0.000 2.182 381 Q HA 0.194 4.631 4.340 0.162 0.000 0.270 381 Q C -0.268 175.587 176.000 -0.243 0.000 0.861 381 Q CA -0.275 55.304 55.803 -0.373 0.000 1.098 381 Q CB 0.360 28.658 28.738 -0.734 0.000 1.188 381 Q HN 0.445 nan 8.270 nan 0.000 0.464 382 V N 0.827 120.433 119.914 -0.512 0.000 2.557 382 V HA 0.087 4.304 4.120 0.162 0.000 0.301 382 V C 1.500 177.453 176.094 -0.235 0.000 1.026 382 V CA 1.615 63.723 62.300 -0.320 0.000 1.137 382 V CB 0.278 31.907 31.823 -0.324 0.000 0.917 382 V HN 0.812 nan 8.190 nan 0.000 0.484 383 G N 4.574 113.212 108.800 -0.269 0.000 2.155 383 G HA2 -0.317 3.740 3.960 0.162 0.000 0.257 383 G HA3 -0.317 3.740 3.960 0.162 0.000 0.257 383 G C 0.505 175.340 174.900 -0.109 0.000 0.983 383 G CA 0.535 45.422 45.100 -0.356 0.000 0.676 383 G HN 0.849 nan 8.290 nan 0.000 0.528 384 N N -0.685 118.039 118.700 0.039 0.000 2.338 384 N HA 0.415 5.252 4.740 0.162 0.000 0.251 384 N C -0.176 175.409 175.510 0.125 0.000 1.199 384 N CA -0.496 52.600 53.050 0.077 0.000 0.879 384 N CB 0.073 38.590 38.487 0.051 0.000 1.159 384 N HN 0.174 nan 8.380 nan 0.000 0.514 385 F N 0.718 120.631 119.950 -0.062 0.000 2.403 385 F HA 0.521 5.145 4.527 0.161 0.000 0.326 385 F C -1.610 174.042 175.800 -0.245 0.000 1.081 385 F CA -2.248 55.632 58.000 -0.200 0.000 1.041 385 F CB 0.775 39.647 39.000 -0.213 0.000 1.234 385 F HN -0.023 nan 8.300 nan 0.000 0.503 386 P HA -0.032 nan 4.420 nan 0.000 0.265 386 P C -1.926 175.428 177.300 0.090 0.000 1.187 386 P CA -0.643 62.341 63.100 -0.194 0.000 0.766 386 P CB 0.050 31.559 31.700 -0.318 0.000 0.820 387 P HA -0.124 nan 4.420 nan 0.000 0.227 387 P C 1.039 178.408 177.300 0.115 0.000 1.145 387 P CA 1.213 64.372 63.100 0.099 0.000 0.769 387 P CB 0.056 31.794 31.700 0.063 0.000 0.769 388 L N -2.440 118.899 121.223 0.193 0.000 2.375 388 L HA 0.099 4.536 4.340 0.162 0.000 0.215 388 L C 1.006 177.950 176.870 0.123 0.000 1.108 388 L CA 0.257 55.182 54.840 0.143 0.000 0.830 388 L CB -0.180 41.967 42.059 0.145 0.000 0.959 388 L HN -0.158 nan 8.230 nan 0.000 0.457 389 F N -0.042 119.947 119.950 0.066 0.000 2.379 389 F HA 0.475 5.099 4.527 0.162 0.000 0.332 389 F C 0.730 176.543 175.800 0.021 0.000 1.096 389 F CA -0.883 57.185 58.000 0.113 0.000 1.105 389 F CB 0.743 39.866 39.000 0.206 0.000 1.189 389 F HN -0.204 nan 8.300 nan 0.000 0.515 390 A N 2.138 125.049 122.820 0.151 0.000 2.281 390 A HA 0.755 5.172 4.320 0.162 0.000 0.329 390 A C -0.761 176.917 177.584 0.157 0.000 1.122 390 A CA -0.586 51.435 52.037 -0.026 0.000 0.850 390 A CB 0.748 19.595 19.000 -0.255 0.000 1.207 390 A HN 0.786 nan 8.150 nan 0.000 0.495 391 E N -0.369 119.929 120.200 0.163 0.000 2.293 391 E HA 0.273 4.720 4.350 0.162 0.000 0.270 391 E C -1.718 175.051 176.600 0.282 0.000 0.879 391 E CA -0.527 55.996 56.400 0.206 0.000 0.756 391 E CB 1.410 31.280 29.700 0.283 0.000 1.208 391 E HN 0.618 nan 8.360 nan 0.000 0.428 392 W N 2.219 123.516 121.300 -0.006 0.000 2.264 392 W HA 0.066 4.824 4.660 0.164 0.000 0.331 392 W C 0.653 177.217 176.519 0.075 0.000 1.364 392 W CA 0.036 57.388 57.345 0.011 0.000 1.253 392 W CB 0.181 29.636 29.460 -0.009 0.000 1.215 392 W HN 0.365 nan 8.180 nan 0.000 0.561 393 N N 3.551 122.354 118.700 0.172 0.000 3.105 393 N HA 0.038 4.875 4.740 0.162 0.000 0.256 393 N C 0.581 176.196 175.510 0.176 0.000 1.174 393 N CA 0.055 53.227 53.050 0.204 0.000 1.030 393 N CB -0.079 38.503 38.487 0.158 0.000 1.305 393 N HN 0.369 nan 8.380 nan 0.000 0.509 394 D N 0.094 120.585 120.400 0.151 0.000 2.263 394 D HA -0.145 4.592 4.640 0.162 0.000 0.208 394 D C 0.689 177.047 176.300 0.097 0.000 0.971 394 D CA 0.882 54.959 54.000 0.128 0.000 0.867 394 D CB 0.295 41.190 40.800 0.158 0.000 0.929 394 D HN 0.593 nan 8.370 nan 0.000 0.492 395 H N -0.601 118.603 119.070 0.223 0.000 2.495 395 H HA -0.059 4.594 4.556 0.162 0.000 0.287 395 H C 1.757 177.172 175.328 0.146 0.000 1.033 395 H CA 0.265 56.404 56.048 0.152 0.000 1.307 395 H CB -0.343 29.501 29.762 0.137 0.000 1.401 395 H HN 0.229 nan 8.280 nan 0.000 0.555 396 F N 1.842 121.882 119.950 0.150 0.000 2.206 396 F HA -0.050 4.574 4.527 0.161 0.000 0.298 396 F C 2.683 178.540 175.800 0.094 0.000 1.090 396 F CA 0.894 58.950 58.000 0.094 0.000 1.323 396 F CB -0.030 38.999 39.000 0.049 0.000 1.028 396 F HN -0.094 nan 8.300 nan 0.000 0.492 397 R N 0.444 121.154 120.500 0.350 0.000 2.080 397 R HA -0.177 4.260 4.340 0.162 0.000 0.236 397 R C 1.802 178.194 176.300 0.154 0.000 1.137 397 R CA 2.347 58.599 56.100 0.255 0.000 0.943 397 R CB -0.622 29.798 30.300 0.200 0.000 0.846 397 R HN 0.243 nan 8.270 nan 0.000 0.431 398 D N 0.204 120.667 120.400 0.105 0.000 2.123 398 D HA -0.073 4.664 4.640 0.162 0.000 0.200 398 D C 1.826 178.009 176.300 -0.194 0.000 0.976 398 D CA 1.344 55.296 54.000 -0.079 0.000 0.831 398 D CB -0.361 40.337 40.800 -0.170 0.000 0.974 398 D HN 0.395 nan 8.370 nan 0.000 0.469 399 A N 1.481 124.238 122.820 -0.105 0.000 1.883 399 A HA -0.111 4.306 4.320 0.162 0.000 0.217 399 A C 2.357 179.929 177.584 -0.020 0.000 1.186 399 A CA 2.511 54.489 52.037 -0.099 0.000 0.624 399 A CB -0.826 18.110 19.000 -0.108 0.000 0.822 399 A HN 0.244 nan 8.150 nan 0.000 0.444 400 A N -0.380 122.404 122.820 -0.060 0.000 1.902 400 A HA -0.171 4.246 4.320 0.162 0.000 0.217 400 A C 2.258 180.026 177.584 0.307 0.000 1.181 400 A CA 1.560 53.689 52.037 0.153 0.000 0.623 400 A CB -0.493 18.518 19.000 0.019 0.000 0.818 400 A HN 0.560 nan 8.150 nan 0.000 0.443 401 R N -0.734 119.865 120.500 0.165 0.000 2.083 401 R HA -0.110 4.327 4.340 0.162 0.000 0.237 401 R C 2.463 178.764 176.300 0.002 0.000 1.137 401 R CA 1.649 57.828 56.100 0.131 0.000 0.951 401 R CB -0.339 30.035 30.300 0.124 0.000 0.851 401 R HN 0.487 nan 8.270 nan 0.000 0.434 402 R N -0.439 120.006 120.500 -0.091 0.000 2.096 402 R HA -0.135 4.302 4.340 0.162 0.000 0.235 402 R C 2.111 178.399 176.300 -0.020 0.000 1.127 402 R CA 1.309 57.329 56.100 -0.133 0.000 0.968 402 R CB -0.340 29.873 30.300 -0.144 0.000 0.861 402 R HN 0.172 nan 8.270 nan 0.000 0.440 403 F N -0.566 119.321 119.950 -0.105 0.000 2.186 403 F HA -0.164 4.459 4.527 0.161 0.000 0.299 403 F C 1.248 176.859 175.800 -0.315 0.000 1.090 403 F CA 1.300 59.166 58.000 -0.223 0.000 1.307 403 F CB -0.042 38.795 39.000 -0.271 0.000 1.019 403 F HN -0.016 nan 8.300 nan 0.000 0.489 404 W N -1.563 119.727 121.300 -0.017 0.000 2.872 404 W HA 0.114 4.870 4.660 0.161 0.000 0.266 404 W C 1.303 177.675 176.519 -0.245 0.000 1.276 404 W CA -0.181 57.123 57.345 -0.069 0.000 1.471 404 W CB 0.183 29.716 29.460 0.121 0.000 1.071 404 W HN -0.133 nan 8.180 nan 0.000 0.619 405 L N -1.574 119.549 121.223 -0.166 0.000 2.642 405 L HA 0.154 4.591 4.340 0.162 0.000 0.233 405 L C 1.375 177.932 176.870 -0.521 0.000 1.077 405 L CA 1.209 55.850 54.840 -0.331 0.000 0.879 405 L CB -0.973 41.024 42.059 -0.103 0.000 1.151 405 L HN -0.023 nan 8.230 nan 0.000 0.495 406 H N -2.139 116.517 119.070 -0.690 0.000 2.855 406 H HA 0.199 4.852 4.556 0.161 0.000 0.259 406 H C -0.100 174.936 175.328 -0.488 0.000 0.972 406 H CA -0.519 55.220 56.048 -0.514 0.000 1.213 406 H CB 0.236 29.914 29.762 -0.140 0.000 1.451 406 H HN 0.087 nan 8.280 nan 0.000 0.484 407 Y N 0.819 121.129 120.300 0.018 0.000 4.079 407 Y HA -0.234 4.413 4.550 0.162 0.000 0.223 407 Y C 0.132 176.008 175.900 -0.039 0.000 1.155 407 Y CA 0.582 58.620 58.100 -0.103 0.000 1.805 407 Y CB -2.578 35.823 38.460 -0.099 0.000 1.571 407 Y HN 0.401 nan 8.280 nan 0.000 0.654 408 D N -0.982 119.471 120.400 0.089 0.000 2.650 408 D HA 0.371 5.108 4.640 0.162 0.000 0.265 408 D C -0.280 176.073 176.300 0.088 0.000 1.339 408 D CA -0.281 53.773 54.000 0.089 0.000 0.816 408 D CB 0.019 40.871 40.800 0.088 0.000 1.091 408 D HN 0.320 nan 8.370 nan 0.000 0.483 409 L N 0.977 122.270 121.223 0.116 0.000 2.313 409 L HA 0.557 4.994 4.340 0.162 0.000 0.283 409 L C -2.624 174.363 176.870 0.195 0.000 1.013 409 L CA -1.843 53.087 54.840 0.149 0.000 0.816 409 L CB 1.652 43.834 42.059 0.205 0.000 1.236 409 L HN -0.287 nan 8.230 nan 0.000 0.419 410 P HA -0.049 nan 4.420 nan 0.000 0.265 410 P C 0.520 177.938 177.300 0.197 0.000 1.187 410 P CA -0.118 63.064 63.100 0.137 0.000 0.766 410 P CB 0.546 32.294 31.700 0.079 0.000 0.820 411 L N 4.238 125.612 121.223 0.252 0.000 2.127 411 L HA -0.096 4.341 4.340 0.162 0.000 0.211 411 L C 2.125 179.212 176.870 0.362 0.000 1.089 411 L CA 2.426 57.460 54.840 0.323 0.000 0.757 411 L CB -1.437 40.799 42.059 0.294 0.000 0.899 411 L HN 0.539 nan 8.230 nan 0.000 0.434 412 G N -1.423 107.546 108.800 0.281 0.000 2.402 412 G HA2 -0.201 3.856 3.960 0.162 0.000 0.216 412 G HA3 -0.201 3.856 3.960 0.162 0.000 0.216 412 G C 1.619 176.411 174.900 -0.180 0.000 1.162 412 G CA 0.701 45.740 45.100 -0.102 0.000 0.777 412 G HN 0.601 nan 8.290 nan 0.000 0.539 413 A N 0.564 123.344 122.820 -0.065 0.000 1.902 413 A HA 0.021 4.438 4.320 0.162 0.000 0.217 413 A C 2.174 179.696 177.584 -0.102 0.000 1.181 413 A CA 1.660 53.648 52.037 -0.083 0.000 0.623 413 A CB -0.593 18.386 19.000 -0.035 0.000 0.818 413 A HN 0.449 nan 8.150 nan 0.000 0.443 414 F N 1.050 120.843 119.950 -0.261 0.000 2.102 414 F HA -0.045 4.579 4.527 0.162 0.000 0.298 414 F C 2.481 178.147 175.800 -0.223 0.000 1.105 414 F CA 1.338 59.093 58.000 -0.409 0.000 1.239 414 F CB -0.470 37.896 39.000 -1.057 0.000 0.991 414 F HN 0.239 nan 8.300 nan 0.000 0.474 415 A N 0.432 123.195 122.820 -0.094 0.000 1.978 415 A HA -0.095 4.322 4.320 0.162 0.000 0.220 415 A C 2.453 179.885 177.584 -0.254 0.000 1.170 415 A CA 1.750 53.622 52.037 -0.275 0.000 0.636 415 A CB -1.854 16.741 19.000 -0.675 0.000 0.810 415 A HN 0.556 nan 8.150 nan 0.000 0.448 416 G N -0.729 107.919 108.800 -0.253 0.000 2.404 416 G HA2 -0.185 3.872 3.960 0.162 0.000 0.215 416 G HA3 -0.185 3.872 3.960 0.162 0.000 0.215 416 G C 1.657 176.538 174.900 -0.032 0.000 1.174 416 G CA 0.654 45.669 45.100 -0.141 0.000 0.780 416 G HN 0.405 nan 8.290 nan 0.000 0.537 417 R N -0.215 120.224 120.500 -0.103 0.000 2.092 417 R HA 0.023 4.460 4.340 0.162 0.000 0.231 417 R C 2.204 178.562 176.300 0.098 0.000 1.119 417 R CA 0.609 56.699 56.100 -0.018 0.000 0.970 417 R CB -1.209 28.934 30.300 -0.262 0.000 0.864 417 R HN 0.484 nan 8.270 nan 0.000 0.440 418 F N 1.476 121.303 119.950 -0.205 0.000 2.234 418 F HA -0.020 4.604 4.527 0.162 0.000 0.299 418 F C 1.450 177.339 175.800 0.148 0.000 1.087 418 F CA 1.100 59.100 58.000 0.000 0.000 1.340 418 F CB -0.019 38.961 39.000 -0.033 0.000 1.031 418 F HN -0.020 nan 8.300 nan 0.000 0.500 419 A N 0.057 123.063 122.820 0.310 0.000 2.840 419 A HA 0.541 4.958 4.320 0.162 0.000 0.269 419 A C 1.275 178.836 177.584 -0.038 0.000 1.439 419 A CA 0.377 52.486 52.037 0.120 0.000 1.083 419 A CB -1.818 17.419 19.000 0.395 0.000 1.019 419 A HN 1.049 nan 8.150 nan 0.000 0.607 420 A N -0.985 121.763 122.820 -0.121 0.000 2.826 420 A HA -0.144 4.273 4.320 0.162 0.000 0.274 420 A C 1.027 178.732 177.584 0.201 0.000 1.443 420 A CA 0.858 52.838 52.037 -0.096 0.000 0.833 420 A CB -2.690 16.091 19.000 -0.365 0.000 1.023 420 A HN 1.762 nan 8.150 nan 0.000 0.600 421 S N -1.884 113.950 115.700 0.223 0.000 3.447 421 S HA -0.260 4.307 4.470 0.162 0.000 0.371 421 S C 1.476 176.261 174.600 0.307 0.000 0.951 421 S CA 1.523 59.886 58.200 0.272 0.000 1.269 421 S CB -2.073 61.354 63.200 0.379 0.000 0.919 421 S HN 2.436 nan 8.310 nan 0.000 0.516 422 S N 0.880 116.695 115.700 0.192 0.000 2.372 422 S HA -0.242 4.325 4.470 0.162 0.000 0.227 422 S C 1.082 175.571 174.600 -0.185 0.000 1.044 422 S CA 1.652 59.746 58.200 -0.176 0.000 1.050 422 S CB -0.445 62.587 63.200 -0.280 0.000 0.901 422 S HN 0.587 nan 8.310 nan 0.000 0.447 423 D N 0.510 120.850 120.400 -0.098 0.000 2.411 423 D HA 0.056 4.793 4.640 0.162 0.000 0.226 423 D C 1.282 177.519 176.300 -0.104 0.000 0.988 423 D CA 0.661 54.595 54.000 -0.110 0.000 0.938 423 D CB 0.011 40.758 40.800 -0.089 0.000 0.883 423 D HN 0.452 nan 8.370 nan 0.000 0.525 424 V N -1.603 118.261 119.914 -0.084 0.000 3.251 424 V HA 0.105 4.322 4.120 0.162 0.000 0.239 424 V C 0.808 176.658 176.094 -0.407 0.000 1.332 424 V CA 0.226 62.384 62.300 -0.237 0.000 1.224 424 V CB 0.115 31.784 31.823 -0.257 0.000 1.004 424 V HN 0.039 nan 8.190 nan 0.000 0.464 425 F N -0.755 119.202 119.950 0.011 0.000 2.706 425 F HA 0.383 5.007 4.527 0.161 0.000 0.308 425 F C 1.381 177.167 175.800 -0.023 0.000 1.095 425 F CA -0.156 57.895 58.000 0.085 0.000 1.244 425 F CB 0.427 39.581 39.000 0.258 0.000 1.063 425 F HN -0.188 nan 8.300 nan 0.000 0.582 426 K N 3.138 123.367 120.400 -0.284 0.000 2.989 426 K HA 0.088 4.505 4.320 0.162 0.000 0.264 426 K C 0.033 176.421 176.600 -0.353 0.000 1.228 426 K CA 0.163 55.989 56.287 -0.769 0.000 1.186 426 K CB -0.566 31.287 32.500 -1.079 0.000 1.409 426 K HN 0.449 nan 8.250 nan 0.000 0.271 427 R N -1.144 119.275 120.500 -0.136 0.000 2.781 427 R HA 0.305 4.742 4.340 0.162 0.000 0.269 427 R C -0.399 175.901 176.300 -0.000 0.000 1.025 427 R CA -0.779 55.273 56.100 -0.079 0.000 0.914 427 R CB 0.530 30.785 30.300 -0.076 0.000 1.236 427 R HN 0.032 nan 8.270 nan 0.000 0.465 428 N N -1.001 117.698 118.700 -0.002 0.000 1.527 428 N HA -0.248 4.589 4.740 0.162 0.000 0.109 428 N C 0.240 175.780 175.510 0.051 0.000 0.829 428 N CA 2.091 55.155 53.050 0.023 0.000 0.846 428 N CB -1.092 37.415 38.487 0.033 0.000 0.864 428 N HN 0.929 nan 8.380 nan 0.000 0.691 429 G N -0.351 108.488 108.800 0.065 0.000 3.814 429 G HA2 0.207 4.264 3.960 0.162 0.000 0.293 429 G HA3 0.207 4.264 3.960 0.162 0.000 0.293 429 G C -0.297 174.670 174.900 0.112 0.000 1.243 429 G CA -0.204 44.946 45.100 0.083 0.000 1.053 429 G HN 0.232 nan 8.290 nan 0.000 0.562 430 R N 0.247 120.843 120.500 0.161 0.000 2.357 430 R HA 0.446 4.883 4.340 0.162 0.000 0.296 430 R C -0.245 176.262 176.300 0.346 0.000 1.052 430 R CA -0.279 55.943 56.100 0.202 0.000 0.988 430 R CB 1.465 31.914 30.300 0.248 0.000 1.025 430 R HN 0.168 nan 8.270 nan 0.000 0.469 431 L N 3.608 124.889 121.223 0.096 0.000 2.365 431 L HA 0.331 4.768 4.340 0.162 0.000 0.267 431 L C -1.428 175.161 176.870 -0.469 0.000 1.033 431 L CA -2.256 52.477 54.840 -0.178 0.000 0.802 431 L CB 1.125 43.024 42.059 -0.266 0.000 1.267 431 L HN 0.278 nan 8.230 nan 0.000 0.457 432 P HA -0.170 nan 4.420 nan 0.000 0.218 432 P C 1.299 178.191 177.300 -0.680 0.000 1.146 432 P CA 1.205 63.596 63.100 -1.183 0.000 0.813 432 P CB 0.115 31.034 31.700 -1.302 0.000 0.778 433 S N -1.177 114.195 115.700 -0.547 0.000 2.515 433 S HA 0.015 4.582 4.470 0.162 0.000 0.231 433 S C 1.910 176.149 174.600 -0.601 0.000 0.987 433 S CA 0.742 58.670 58.200 -0.452 0.000 0.936 433 S CB -1.043 61.973 63.200 -0.306 0.000 0.766 433 S HN 0.112 nan 8.310 nan 0.000 0.528 434 A N 1.173 123.628 122.820 -0.610 0.000 2.119 434 A HA 0.561 4.978 4.320 0.162 0.000 0.217 434 A C 1.346 178.418 177.584 -0.854 0.000 1.153 434 A CA 0.689 52.383 52.037 -0.571 0.000 0.692 434 A CB -0.724 18.160 19.000 -0.193 0.000 0.799 434 A HN 0.790 nan 8.150 nan 0.000 0.458 435 A N 0.917 123.081 122.820 -1.093 0.000 2.391 435 A HA 0.541 4.958 4.320 0.162 0.000 0.316 435 A C -0.109 177.165 177.584 -0.516 0.000 1.381 435 A CA -0.404 50.979 52.037 -1.091 0.000 0.998 435 A CB -0.254 18.169 19.000 -0.961 0.000 1.147 435 A HN 0.201 nan 8.150 nan 0.000 0.545 436 I N 3.290 123.670 120.570 -0.316 0.000 2.278 436 I HA 0.047 4.314 4.170 0.162 0.000 0.296 436 I C 0.125 176.026 176.117 -0.360 0.000 1.121 436 I CA 0.029 61.186 61.300 -0.238 0.000 1.267 436 I CB -0.894 37.061 38.000 -0.076 0.000 1.447 436 I HN 0.607 nan 8.210 nan 0.000 0.509 437 N N 7.304 125.698 118.700 -0.509 0.000 2.497 437 N HA 0.523 5.360 4.740 0.162 0.000 0.271 437 N C -0.586 174.551 175.510 -0.622 0.000 1.142 437 N CA -0.378 52.171 53.050 -0.836 0.000 0.965 437 N CB 1.042 38.660 38.487 -1.449 0.000 1.077 437 N HN 0.460 nan 8.380 nan 0.000 0.462 438 L N -1.254 119.706 121.223 -0.438 0.000 2.434 438 L HA 0.587 5.024 4.340 0.162 0.000 0.260 438 L C -0.341 176.583 176.870 0.090 0.000 0.983 438 L CA -0.946 53.756 54.840 -0.231 0.000 0.820 438 L CB 1.601 43.398 42.059 -0.435 0.000 1.361 438 L HN 0.228 nan 8.230 nan 0.000 0.410 439 V N -0.182 119.803 119.914 0.118 0.000 3.523 439 V HA 0.233 4.450 4.120 0.162 0.000 0.255 439 V C 0.810 176.983 176.094 0.133 0.000 1.226 439 V CA 1.554 63.983 62.300 0.214 0.000 1.092 439 V CB 0.644 32.607 31.823 0.233 0.000 0.817 439 V HN 1.063 nan 8.190 nan 0.000 0.458 440 T N -2.824 111.760 114.554 0.050 0.000 2.739 440 T HA 0.857 5.304 4.350 0.162 0.000 0.303 440 T C -0.777 173.888 174.700 -0.058 0.000 1.389 440 T CA -0.011 62.112 62.100 0.039 0.000 1.001 440 T CB 2.472 71.391 68.868 0.085 0.000 1.436 440 T HN 0.550 nan 8.240 nan 0.000 0.500 441 A N 0.085 122.883 122.820 -0.038 0.000 2.506 441 A HA 0.702 5.119 4.320 0.162 0.000 0.305 441 A C 0.647 178.206 177.584 -0.041 0.000 1.166 441 A CA 0.073 52.071 52.037 -0.065 0.000 0.638 441 A CB -0.322 18.607 19.000 -0.117 0.000 1.336 441 A HN 1.520 nan 8.150 nan 0.000 0.493 442 H N 0.253 119.317 119.070 -0.010 0.000 2.390 442 H HA -0.054 4.599 4.556 0.161 0.000 0.298 442 H C 0.376 175.647 175.328 -0.096 0.000 1.106 442 H CA 1.485 57.448 56.048 -0.142 0.000 1.297 442 H CB -0.414 29.036 29.762 -0.520 0.000 1.375 442 H HN 0.612 nan 8.280 nan 0.000 0.509 443 D N 0.639 120.631 120.400 -0.679 0.000 2.210 443 D HA 0.405 5.142 4.640 0.162 0.000 0.249 443 D C 0.942 177.263 176.300 0.036 0.000 1.062 443 D CA 0.201 54.125 54.000 -0.127 0.000 0.891 443 D CB 1.630 42.297 40.800 -0.222 0.000 1.186 443 D HN 0.684 nan 8.370 nan 0.000 0.432 444 G N 0.322 109.196 108.800 0.122 0.000 2.627 444 G HA2 -0.160 3.897 3.960 0.162 0.000 0.214 444 G HA3 -0.160 3.897 3.960 0.162 0.000 0.214 444 G C -0.818 174.127 174.900 0.076 0.000 1.331 444 G CA -0.782 44.316 45.100 -0.003 0.000 0.891 444 G HN 0.395 nan 8.290 nan 0.000 0.539 445 F N 1.926 121.931 119.950 0.092 0.000 2.410 445 F HA 0.546 5.171 4.527 0.163 0.000 0.334 445 F C 1.793 177.637 175.800 0.073 0.000 1.134 445 F CA 0.036 58.080 58.000 0.072 0.000 1.227 445 F CB 0.918 39.967 39.000 0.081 0.000 1.194 445 F HN 0.809 nan 8.300 nan 0.000 0.571 446 T N 0.264 114.980 114.554 0.270 0.000 2.754 446 T HA 0.182 4.629 4.350 0.162 0.000 0.286 446 T C 1.162 175.942 174.700 0.134 0.000 0.997 446 T CA -0.723 61.471 62.100 0.157 0.000 0.982 446 T CB 0.630 69.536 68.868 0.063 0.000 1.027 446 T HN 0.511 nan 8.240 nan 0.000 0.529 447 L N 0.383 121.665 121.223 0.098 0.000 2.012 447 L HA 0.005 4.442 4.340 0.162 0.000 0.210 447 L C 2.936 179.825 176.870 0.032 0.000 1.073 447 L CA 1.873 56.761 54.840 0.080 0.000 0.748 447 L CB -0.980 41.121 42.059 0.070 0.000 0.891 447 L HN 0.846 nan 8.230 nan 0.000 0.431 448 R N -0.638 119.861 120.500 -0.003 0.000 2.083 448 R HA -0.190 4.247 4.340 0.162 0.000 0.237 448 R C 1.776 178.030 176.300 -0.077 0.000 1.137 448 R CA 1.964 58.030 56.100 -0.057 0.000 0.951 448 R CB -0.362 29.897 30.300 -0.068 0.000 0.851 448 R HN 0.404 nan 8.270 nan 0.000 0.434 449 D N -0.174 120.191 120.400 -0.058 0.000 2.263 449 D HA -0.120 4.617 4.640 0.162 0.000 0.208 449 D C 1.695 177.822 176.300 -0.288 0.000 0.971 449 D CA 0.797 54.737 54.000 -0.100 0.000 0.867 449 D CB -0.309 40.362 40.800 -0.214 0.000 0.929 449 D HN 0.323 nan 8.370 nan 0.000 0.492 450 C N 0.099 119.336 119.300 -0.106 0.000 2.432 450 C HA -0.042 4.515 4.460 0.162 0.000 0.280 450 C C 2.480 177.470 174.990 0.001 0.000 1.353 450 C CA 0.723 59.747 59.018 0.010 0.000 1.766 450 C CB -0.711 27.111 27.740 0.137 0.000 1.924 450 C HN 0.344 nan 8.230 nan 0.000 0.509 451 V N -3.954 115.927 119.914 -0.056 0.000 3.578 451 V HA 0.249 4.466 4.120 0.162 0.000 0.290 451 V C 0.976 176.970 176.094 -0.168 0.000 1.376 451 V CA 0.717 62.977 62.300 -0.067 0.000 1.083 451 V CB -1.038 30.628 31.823 -0.262 0.000 0.911 451 V HN 0.543 nan 8.190 nan 0.000 0.433 452 C N -0.390 118.765 119.300 -0.242 0.000 3.392 452 C HA 0.579 5.136 4.460 0.162 0.000 0.301 452 C C 0.140 174.640 174.990 -0.816 0.000 1.354 452 C CA -0.278 58.447 59.018 -0.489 0.000 1.732 452 C CB -0.763 26.632 27.740 -0.576 0.000 2.269 452 C HN 0.514 nan 8.230 nan 0.000 0.673 453 F N 0.833 120.623 119.950 -0.267 0.000 2.569 453 F HA 0.344 4.969 4.527 0.163 0.000 0.312 453 F C 0.652 176.376 175.800 -0.126 0.000 1.109 453 F CA -0.531 57.339 58.000 -0.216 0.000 0.919 453 F CB 0.954 39.722 39.000 -0.386 0.000 1.211 453 F HN -0.082 nan 8.300 nan 0.000 0.446 454 N N -0.120 118.626 118.700 0.076 0.000 2.415 454 N HA 0.044 4.881 4.740 0.162 0.000 0.174 454 N C -0.313 175.116 175.510 -0.134 0.000 1.048 454 N CA 0.143 53.124 53.050 -0.115 0.000 0.895 454 N CB 0.352 38.597 38.487 -0.403 0.000 1.036 454 N HN 0.424 nan 8.380 nan 0.000 0.449 455 H N 0.778 120.055 119.070 0.346 0.000 2.710 455 H HA 0.273 4.926 4.556 0.162 0.000 0.361 455 H C -0.431 175.102 175.328 0.342 0.000 1.175 455 H CA -0.583 55.602 56.048 0.228 0.000 1.206 455 H CB 1.367 31.149 29.762 0.033 0.000 1.750 455 H HN 0.048 nan 8.280 nan 0.000 0.553 456 K N 0.762 121.325 120.400 0.272 0.000 2.098 456 K HA 0.316 4.733 4.320 0.162 0.000 0.257 456 K C -0.547 176.011 176.600 -0.070 0.000 0.999 456 K CA -0.544 55.869 56.287 0.210 0.000 0.924 456 K CB 1.183 33.676 32.500 -0.011 0.000 1.028 456 K HN 0.632 nan 8.250 nan 0.000 0.466 457 H N 2.052 121.160 119.070 0.064 0.000 2.380 457 H HA 0.165 4.818 4.556 0.162 0.000 0.231 457 H C -0.719 174.604 175.328 -0.008 0.000 1.415 457 H CA -0.587 55.472 56.048 0.018 0.000 1.433 457 H CB 0.521 30.265 29.762 -0.030 0.000 1.544 457 H HN 0.662 nan 8.280 nan 0.000 0.503 458 N N 1.103 119.832 118.700 0.048 0.000 2.268 458 N HA -0.073 4.764 4.740 0.162 0.000 0.204 458 N C 1.602 177.120 175.510 0.012 0.000 1.124 458 N CA 0.001 53.067 53.050 0.027 0.000 0.838 458 N CB 0.414 38.911 38.487 0.017 0.000 0.994 458 N HN 0.608 nan 8.380 nan 0.000 0.489 459 E N 0.640 120.849 120.200 0.016 0.000 2.233 459 E HA -0.209 4.238 4.350 0.162 0.000 0.199 459 E C 1.382 177.976 176.600 -0.010 0.000 1.004 459 E CA 1.159 57.561 56.400 0.004 0.000 0.819 459 E CB -0.338 29.369 29.700 0.012 0.000 0.738 459 E HN 0.299 nan 8.360 nan 0.000 0.478 460 A N 1.767 124.575 122.820 -0.020 0.000 2.067 460 A HA -0.126 4.291 4.320 0.162 0.000 0.219 460 A C 1.722 179.268 177.584 -0.063 0.000 1.158 460 A CA 1.059 53.067 52.037 -0.048 0.000 0.661 460 A CB -0.341 18.616 19.000 -0.071 0.000 0.801 460 A HN 0.122 nan 8.150 nan 0.000 0.452 461 N N -0.337 118.335 118.700 -0.047 0.000 2.550 461 N HA 0.070 4.907 4.740 0.162 0.000 0.186 461 N C 1.211 176.709 175.510 -0.020 0.000 1.110 461 N CA 1.089 54.109 53.050 -0.049 0.000 0.912 461 N CB -0.119 38.377 38.487 0.014 0.000 0.968 461 N HN 0.653 nan 8.380 nan 0.000 0.448 462 G N 0.668 109.458 108.800 -0.015 0.000 2.143 462 G HA2 -0.282 3.775 3.960 0.162 0.000 0.248 462 G HA3 -0.282 3.775 3.960 0.162 0.000 0.248 462 G C 0.280 175.183 174.900 0.006 0.000 0.991 462 G CA 0.218 45.313 45.100 -0.007 0.000 0.689 462 G HN 0.488 nan 8.290 nan 0.000 0.522 463 E N 0.071 120.277 120.200 0.011 0.000 2.624 463 E HA 0.286 4.733 4.350 0.162 0.000 0.210 463 E C 0.601 177.202 176.600 0.001 0.000 0.997 463 E CA 0.009 56.416 56.400 0.012 0.000 0.999 463 E CB 0.147 29.861 29.700 0.024 0.000 1.040 463 E HN 0.679 nan 8.360 nan 0.000 0.469 464 E N 0.584 120.782 120.200 -0.004 0.000 2.476 464 E HA -0.276 4.171 4.350 0.162 0.000 0.251 464 E C -0.438 176.151 176.600 -0.017 0.000 1.130 464 E CA 0.493 56.887 56.400 -0.011 0.000 0.736 464 E CB -1.878 27.816 29.700 -0.011 0.000 1.298 464 E HN 0.426 nan 8.360 nan 0.000 0.400 465 N N -1.686 117.005 118.700 -0.016 0.000 2.741 465 N HA -0.272 4.565 4.740 0.162 0.000 0.251 465 N C 0.926 176.421 175.510 -0.025 0.000 1.112 465 N CA 1.260 54.295 53.050 -0.025 0.000 0.750 465 N CB -0.478 37.981 38.487 -0.047 0.000 1.119 465 N HN 0.385 nan 8.380 nan 0.000 0.561 466 R N 0.758 121.247 120.500 -0.017 0.000 2.200 466 R HA -0.000 4.437 4.340 0.162 0.000 0.208 466 R C 0.220 176.508 176.300 -0.019 0.000 1.033 466 R CA 0.971 57.060 56.100 -0.018 0.000 1.000 466 R CB 0.217 30.509 30.300 -0.013 0.000 0.906 466 R HN 0.441 nan 8.270 nan 0.000 0.462 467 D N -0.517 119.875 120.400 -0.012 0.000 2.348 467 D HA 0.345 5.082 4.640 0.162 0.000 0.249 467 D C 0.268 176.553 176.300 -0.024 0.000 1.110 467 D CA 0.351 54.342 54.000 -0.016 0.000 0.967 467 D CB 1.007 41.811 40.800 0.007 0.000 1.139 467 D HN 0.190 nan 8.370 nan 0.000 0.466 468 G N -0.365 108.417 108.800 -0.032 0.000 2.712 468 G HA2 -0.057 4.000 3.960 0.162 0.000 0.686 468 G HA3 -0.057 4.000 3.960 0.162 0.000 0.686 468 G C -0.109 174.754 174.900 -0.061 0.000 1.321 468 G CA -0.238 44.840 45.100 -0.037 0.000 0.813 468 G HN 0.781 nan 8.290 nan 0.000 0.599 469 T N 0.244 114.754 114.554 -0.074 0.000 2.930 469 T HA 0.312 4.759 4.350 0.162 0.000 0.306 469 T C 1.520 176.144 174.700 -0.128 0.000 1.045 469 T CA 0.464 62.511 62.100 -0.089 0.000 1.134 469 T CB 0.166 68.986 68.868 -0.080 0.000 0.961 469 T HN 0.518 nan 8.240 nan 0.000 0.545 470 N N 3.476 122.111 118.700 -0.108 0.000 2.280 470 N HA 0.061 4.898 4.740 0.162 0.000 0.192 470 N C -0.438 174.975 175.510 -0.160 0.000 1.109 470 N CA 0.033 53.020 53.050 -0.104 0.000 0.855 470 N CB 0.242 38.691 38.487 -0.063 0.000 0.974 470 N HN 0.526 nan 8.380 nan 0.000 0.482 471 N N 1.077 119.637 118.700 -0.233 0.000 2.936 471 N HA 0.182 5.019 4.740 0.162 0.000 0.243 471 N C -0.133 175.009 175.510 -0.613 0.000 1.149 471 N CA -0.108 52.643 53.050 -0.498 0.000 0.914 471 N CB 0.693 38.943 38.487 -0.394 0.000 1.179 471 N HN 0.130 nan 8.380 nan 0.000 0.502 472 N N 0.399 118.830 118.700 -0.448 0.000 2.388 472 N HA 0.024 4.861 4.740 0.162 0.000 0.176 472 N C -0.562 174.922 175.510 -0.043 0.000 1.062 472 N CA -0.048 52.899 53.050 -0.172 0.000 0.895 472 N CB -0.049 38.440 38.487 0.003 0.000 1.018 472 N HN 0.308 nan 8.380 nan 0.000 0.456 473 Y N 0.065 120.410 120.300 0.075 0.000 3.589 473 Y HA -0.271 4.376 4.550 0.162 0.000 0.218 473 Y C 0.246 176.008 175.900 -0.229 0.000 1.234 473 Y CA 0.065 58.054 58.100 -0.185 0.000 1.576 473 Y CB -2.953 35.361 38.460 -0.242 0.000 1.487 473 Y HN 0.075 nan 8.280 nan 0.000 0.616 474 S N -0.810 114.988 115.700 0.163 0.000 2.707 474 S HA 0.756 5.323 4.470 0.162 0.000 0.276 474 S C -0.103 174.625 174.600 0.213 0.000 1.179 474 S CA -0.619 57.698 58.200 0.195 0.000 0.992 474 S CB 2.558 65.931 63.200 0.288 0.000 1.030 474 S HN 0.382 nan 8.310 nan 0.000 0.554 475 N N 0.680 119.463 118.700 0.138 0.000 2.572 475 N HA 0.181 5.018 4.740 0.162 0.000 0.287 475 N C -0.660 174.934 175.510 0.141 0.000 1.136 475 N CA -0.463 52.642 53.050 0.092 0.000 0.900 475 N CB 1.099 39.577 38.487 -0.016 0.000 1.484 475 N HN 0.754 nan 8.380 nan 0.000 0.526 476 N N 2.651 121.382 118.700 0.052 0.000 2.575 476 N HA -0.051 4.786 4.740 0.162 0.000 0.192 476 N C -0.044 175.534 175.510 0.113 0.000 1.200 476 N CA 0.513 53.565 53.050 0.005 0.000 0.897 476 N CB -0.729 37.693 38.487 -0.108 0.000 0.990 476 N HN 0.688 nan 8.380 nan 0.000 0.449 477 H N -2.212 116.820 119.070 -0.063 0.000 3.010 477 H HA -0.208 4.445 4.556 0.161 0.000 0.272 477 H C 1.143 176.457 175.328 -0.024 0.000 1.151 477 H CA 0.963 56.990 56.048 -0.034 0.000 1.159 477 H CB -1.271 28.463 29.762 -0.046 0.000 1.295 477 H HN 0.674 nan 8.280 nan 0.000 0.344 478 G N 0.265 109.093 108.800 0.047 0.000 3.465 478 G HA2 -0.175 3.882 3.960 0.162 0.000 0.196 478 G HA3 -0.175 3.882 3.960 0.162 0.000 0.196 478 G C -0.009 174.891 174.900 -0.001 0.000 1.170 478 G CA 0.130 45.243 45.100 0.022 0.000 0.887 478 G HN 0.534 nan 8.290 nan 0.000 0.444 479 K N 0.870 121.254 120.400 -0.027 0.000 2.422 479 K HA 0.738 5.155 4.320 0.162 0.000 0.251 479 K C -1.087 175.446 176.600 -0.112 0.000 0.933 479 K CA -0.708 55.550 56.287 -0.048 0.000 0.798 479 K CB 2.722 35.192 32.500 -0.051 0.000 1.238 479 K HN 0.030 nan 8.250 nan 0.000 0.428 480 E N 1.571 121.722 120.200 -0.083 0.000 2.344 480 E HA 0.441 4.888 4.350 0.162 0.000 0.270 480 E C -0.104 176.308 176.600 -0.313 0.000 1.021 480 E CA 1.358 57.672 56.400 -0.144 0.000 0.887 480 E CB 0.714 30.471 29.700 0.095 0.000 0.997 480 E HN 0.910 nan 8.360 nan 0.000 0.429 481 G N 2.268 110.580 108.800 -0.813 0.000 2.570 481 G HA2 -0.080 3.977 3.960 0.162 0.000 0.686 481 G HA3 -0.080 3.977 3.960 0.162 0.000 0.686 481 G C -1.341 173.210 174.900 -0.581 0.000 1.257 481 G CA -0.727 43.922 45.100 -0.750 0.000 0.846 481 G HN 0.426 nan 8.290 nan 0.000 0.627 482 L N 1.560 122.570 121.223 -0.355 0.000 2.464 482 L HA 0.649 5.086 4.340 0.162 0.000 0.264 482 L C 1.752 178.530 176.870 -0.153 0.000 1.199 482 L CA 1.634 56.339 54.840 -0.225 0.000 0.818 482 L CB 0.191 42.179 42.059 -0.119 0.000 1.102 482 L HN 2.631 nan 8.230 nan 0.000 0.473 483 G N 0.269 108.992 108.800 -0.128 0.000 2.888 483 G HA2 0.391 4.448 3.960 0.162 0.000 0.441 483 G HA3 0.391 4.448 3.960 0.162 0.000 0.441 483 G C -0.037 174.808 174.900 -0.092 0.000 1.461 483 G CA -0.111 44.934 45.100 -0.090 0.000 0.897 483 G HN 1.606 nan 8.290 nan 0.000 0.547 484 G N -1.676 107.086 108.800 -0.064 0.000 2.320 484 G HA2 0.628 4.685 3.960 0.162 0.000 0.274 484 G HA3 0.628 4.685 3.960 0.162 0.000 0.274 484 G C 0.266 175.142 174.900 -0.039 0.000 1.324 484 G CA 0.662 45.730 45.100 -0.053 0.000 0.957 484 G HN 2.639 nan 8.290 nan 0.000 0.481 485 S N -0.130 115.552 115.700 -0.030 0.000 2.576 485 S HA 0.293 4.860 4.470 0.162 0.000 0.272 485 S C 1.659 176.244 174.600 -0.024 0.000 1.352 485 S CA 0.200 58.388 58.200 -0.021 0.000 1.021 485 S CB 1.007 64.199 63.200 -0.013 0.000 0.887 485 S HN 1.613 nan 8.310 nan 0.000 0.542 486 L N 0.580 121.792 121.223 -0.018 0.000 2.127 486 L HA -0.135 4.302 4.340 0.162 0.000 0.211 486 L C 1.924 178.783 176.870 -0.017 0.000 1.089 486 L CA 2.688 57.517 54.840 -0.019 0.000 0.757 486 L CB -1.586 40.466 42.059 -0.012 0.000 0.899 486 L HN 1.015 nan 8.230 nan 0.000 0.434 487 D N -0.268 120.126 120.400 -0.009 0.000 2.097 487 D HA -0.246 4.491 4.640 0.162 0.000 0.195 487 D C 2.205 178.509 176.300 0.006 0.000 0.989 487 D CA 1.289 55.290 54.000 0.001 0.000 0.827 487 D CB -0.059 40.745 40.800 0.007 0.000 0.966 487 D HN 0.268 nan 8.370 nan 0.000 0.456 488 L N 0.031 121.253 121.223 -0.003 0.000 2.079 488 L HA -0.108 4.329 4.340 0.162 0.000 0.210 488 L C 2.229 179.067 176.870 -0.053 0.000 1.081 488 L CA 1.373 56.208 54.840 -0.009 0.000 0.752 488 L CB -0.548 41.494 42.059 -0.029 0.000 0.896 488 L HN 0.051 nan 8.230 nan 0.000 0.433 489 V N -0.339 119.537 119.914 -0.062 0.000 2.358 489 V HA -0.243 3.974 4.120 0.162 0.000 0.246 489 V C 2.448 178.486 176.094 -0.093 0.000 1.047 489 V CA 1.992 64.238 62.300 -0.090 0.000 1.035 489 V CB -0.604 31.177 31.823 -0.071 0.000 0.658 489 V HN 0.514 nan 8.190 nan 0.000 0.452 490 E N -0.466 119.702 120.200 -0.053 0.000 2.112 490 E HA -0.110 4.337 4.350 0.162 0.000 0.190 490 E C 2.464 179.054 176.600 -0.018 0.000 0.979 490 E CA 0.434 56.807 56.400 -0.046 0.000 0.814 490 E CB -0.116 29.574 29.700 -0.018 0.000 0.762 490 E HN 0.404 nan 8.360 nan 0.000 0.460 491 R N 1.177 121.700 120.500 0.039 0.000 2.081 491 R HA -0.098 4.339 4.340 0.162 0.000 0.235 491 R C 2.242 178.664 176.300 0.203 0.000 1.131 491 R CA 1.224 57.437 56.100 0.188 0.000 0.960 491 R CB -0.419 30.047 30.300 0.275 0.000 0.856 491 R HN 0.303 nan 8.270 nan 0.000 0.436 492 R N 0.362 120.787 120.500 -0.126 0.000 2.240 492 R HA 0.104 4.541 4.340 0.162 0.000 0.203 492 R C 2.051 178.185 176.300 -0.276 0.000 1.011 492 R CA 0.299 56.130 56.100 -0.447 0.000 1.007 492 R CB -0.292 29.504 30.300 -0.840 0.000 0.911 492 R HN 0.053 nan 8.270 nan 0.000 0.468 493 R N 1.583 121.934 120.500 -0.247 0.000 2.115 493 R HA -0.103 4.334 4.340 0.162 0.000 0.226 493 R C 0.699 176.690 176.300 -0.514 0.000 1.100 493 R CA 1.558 57.407 56.100 -0.418 0.000 0.980 493 R CB -0.067 29.997 30.300 -0.393 0.000 0.875 493 R HN 0.175 nan 8.270 nan 0.000 0.445 494 D N 0.101 120.395 120.400 -0.177 0.000 2.144 494 D HA -0.062 4.675 4.640 0.162 0.000 0.200 494 D C 1.796 178.146 176.300 0.084 0.000 0.978 494 D CA 1.263 55.267 54.000 0.008 0.000 0.833 494 D CB 0.075 40.956 40.800 0.136 0.000 0.961 494 D HN 0.192 nan 8.370 nan 0.000 0.470 495 S N 0.518 116.293 115.700 0.126 0.000 2.371 495 S HA -0.015 4.552 4.470 0.162 0.000 0.224 495 S C 2.238 176.798 174.600 -0.066 0.000 1.029 495 S CA 0.287 58.539 58.200 0.087 0.000 0.978 495 S CB 0.022 63.315 63.200 0.154 0.000 0.833 495 S HN 0.250 nan 8.310 nan 0.000 0.466 496 I N 1.181 121.680 120.570 -0.118 0.000 2.208 496 I HA -0.251 4.016 4.170 0.162 0.000 0.245 496 I C 2.293 178.387 176.117 -0.037 0.000 1.097 496 I CA 1.475 62.712 61.300 -0.105 0.000 1.363 496 I CB -0.525 37.374 38.000 -0.168 0.000 1.051 496 I HN 0.423 nan 8.210 nan 0.000 0.413 497 H N 0.174 119.133 119.070 -0.184 0.000 2.387 497 H HA -0.103 4.550 4.556 0.162 0.000 0.299 497 H C 2.384 177.770 175.328 0.096 0.000 1.090 497 H CA 0.863 56.820 56.048 -0.151 0.000 1.332 497 H CB 0.109 29.779 29.762 -0.153 0.000 1.386 497 H HN 0.380 nan 8.280 nan 0.000 0.516 498 A N 0.821 123.633 122.820 -0.014 0.000 1.898 498 A HA -0.097 4.320 4.320 0.162 0.000 0.216 498 A C 2.328 179.609 177.584 -0.505 0.000 1.181 498 A CA 0.922 52.672 52.037 -0.477 0.000 0.620 498 A CB -0.593 17.636 19.000 -1.286 0.000 0.819 498 A HN 0.251 nan 8.150 nan 0.000 0.442 499 L N -1.034 119.988 121.223 -0.335 0.000 2.093 499 L HA -0.117 4.320 4.340 0.162 0.000 0.208 499 L C 2.399 179.348 176.870 0.132 0.000 1.085 499 L CA 0.477 55.273 54.840 -0.073 0.000 0.755 499 L CB -0.314 41.761 42.059 0.026 0.000 0.904 499 L HN 0.288 nan 8.230 nan 0.000 0.435 500 L N -0.603 120.713 121.223 0.155 0.000 2.093 500 L HA -0.163 4.274 4.340 0.162 0.000 0.208 500 L C 2.526 179.559 176.870 0.271 0.000 1.085 500 L CA 1.928 56.907 54.840 0.232 0.000 0.755 500 L CB -1.090 41.150 42.059 0.302 0.000 0.904 500 L HN 0.209 nan 8.230 nan 0.000 0.435 501 T N -1.438 113.305 114.554 0.315 0.000 2.777 501 T HA -0.137 4.310 4.350 0.162 0.000 0.266 501 T C 1.764 176.699 174.700 0.392 0.000 1.040 501 T CA 1.686 63.992 62.100 0.345 0.000 1.141 501 T CB -0.211 68.916 68.868 0.431 0.000 0.868 501 T HN 0.348 nan 8.240 nan 0.000 0.444 502 T N 2.608 117.427 114.554 0.442 0.000 2.684 502 T HA -0.079 4.368 4.350 0.162 0.000 0.267 502 T C 1.898 176.928 174.700 0.549 0.000 1.036 502 T CA 1.103 63.587 62.100 0.639 0.000 1.148 502 T CB -0.501 68.816 68.868 0.749 0.000 0.863 502 T HN 0.160 nan 8.240 nan 0.000 0.436 503 L N 0.935 122.413 121.223 0.426 0.000 1.976 503 L HA -0.006 4.431 4.340 0.162 0.000 0.209 503 L C 1.850 178.788 176.870 0.113 0.000 1.071 503 L CA 1.737 56.747 54.840 0.283 0.000 0.746 503 L CB -0.699 41.485 42.059 0.208 0.000 0.890 503 L HN 0.129 nan 8.230 nan 0.000 0.432 504 L N -0.664 120.633 121.223 0.123 0.000 2.552 504 L HA -0.009 4.428 4.340 0.162 0.000 0.227 504 L C 1.762 178.660 176.870 0.046 0.000 1.146 504 L CA 0.875 55.745 54.840 0.050 0.000 0.858 504 L CB -0.987 41.100 42.059 0.047 0.000 0.969 504 L HN 0.329 nan 8.230 nan 0.000 0.451 505 L N -1.978 119.324 121.223 0.131 0.000 2.766 505 L HA 0.243 4.680 4.340 0.162 0.000 0.242 505 L C 1.094 177.957 176.870 -0.012 0.000 1.136 505 L CA 0.315 55.247 54.840 0.154 0.000 0.933 505 L CB 0.114 42.369 42.059 0.327 0.000 1.241 505 L HN -0.048 nan 8.230 nan 0.000 0.522 506 S N 0.012 115.594 115.700 -0.197 0.000 2.580 506 S HA 0.172 4.739 4.470 0.162 0.000 0.274 506 S C 0.129 174.377 174.600 -0.586 0.000 1.329 506 S CA -0.288 57.433 58.200 -0.798 0.000 1.036 506 S CB 0.833 63.884 63.200 -0.248 0.000 0.919 506 S HN 0.249 nan 8.310 nan 0.000 0.515 507 Q N 0.894 120.275 119.800 -0.698 0.000 2.337 507 Q HA 0.454 4.891 4.340 0.162 0.000 0.270 507 Q C 0.369 176.090 176.000 -0.465 0.000 1.002 507 Q CA 0.453 55.953 55.803 -0.505 0.000 0.888 507 Q CB 0.158 28.417 28.738 -0.799 0.000 1.222 507 Q HN 0.908 nan 8.270 nan 0.000 0.400 508 G N 1.784 110.335 108.800 -0.415 0.000 2.315 508 G HA2 -0.109 3.948 3.960 0.162 0.000 0.296 508 G HA3 -0.109 3.948 3.960 0.162 0.000 0.296 508 G C -1.226 173.493 174.900 -0.301 0.000 1.289 508 G CA -0.612 44.241 45.100 -0.410 0.000 0.996 508 G HN 0.524 nan 8.290 nan 0.000 0.487 509 T N 3.337 117.731 114.554 -0.267 0.000 2.733 509 T HA 0.619 5.066 4.350 0.162 0.000 0.294 509 T C -2.568 172.014 174.700 -0.197 0.000 0.956 509 T CA -0.621 61.398 62.100 -0.135 0.000 0.987 509 T CB 1.661 70.561 68.868 0.054 0.000 0.920 509 T HN 0.396 nan 8.240 nan 0.000 0.470 510 P HA 0.355 nan 4.420 nan 0.000 0.280 510 P C -0.708 176.507 177.300 -0.141 0.000 1.244 510 P CA -0.574 62.413 63.100 -0.190 0.000 0.784 510 P CB 0.580 32.198 31.700 -0.137 0.000 0.913 511 M N 4.513 124.007 119.600 -0.177 0.000 2.134 511 M HA 0.418 4.995 4.480 0.162 0.000 0.310 511 M C -1.659 174.582 176.300 -0.098 0.000 0.966 511 M CA -1.196 54.022 55.300 -0.138 0.000 0.922 511 M CB 0.953 33.409 32.600 -0.240 0.000 1.537 511 M HN 0.142 nan 8.290 nan 0.000 0.424 512 L N 5.913 127.134 121.223 -0.002 0.000 2.295 512 L HA 0.564 5.001 4.340 0.162 0.000 0.285 512 L C -1.541 175.326 176.870 -0.006 0.000 1.035 512 L CA -0.530 54.339 54.840 0.048 0.000 0.806 512 L CB 1.566 43.719 42.059 0.158 0.000 1.214 512 L HN 0.793 nan 8.230 nan 0.000 0.426 513 L N 5.718 126.917 121.223 -0.041 0.000 2.313 513 L HA 0.603 5.040 4.340 0.162 0.000 0.282 513 L C 0.371 177.128 176.870 -0.189 0.000 1.092 513 L CA 0.052 54.826 54.840 -0.110 0.000 0.831 513 L CB 0.591 42.635 42.059 -0.025 0.000 1.159 513 L HN 0.852 nan 8.230 nan 0.000 0.442 514 A N 4.164 126.694 122.820 -0.483 0.000 2.584 514 A HA 0.414 4.831 4.320 0.162 0.000 0.239 514 A C 1.442 178.882 177.584 -0.239 0.000 1.043 514 A CA 0.706 52.420 52.037 -0.539 0.000 0.756 514 A CB -0.766 17.881 19.000 -0.588 0.000 0.963 514 A HN 1.940 nan 8.150 nan 0.000 0.511 515 G N 1.945 110.559 108.800 -0.309 0.000 2.234 515 G HA2 -0.244 3.813 3.960 0.162 0.000 0.235 515 G HA3 -0.244 3.813 3.960 0.162 0.000 0.235 515 G C 0.595 175.287 174.900 -0.346 0.000 0.997 515 G CA 0.758 45.498 45.100 -0.600 0.000 0.623 515 G HN 0.679 nan 8.290 nan 0.000 0.514 516 D N 1.057 121.389 120.400 -0.113 0.000 2.312 516 D HA 0.162 4.899 4.640 0.162 0.000 0.211 516 D C 2.185 178.491 176.300 0.011 0.000 0.964 516 D CA 1.332 55.329 54.000 -0.005 0.000 0.877 516 D CB -0.068 40.759 40.800 0.045 0.000 0.924 516 D HN 0.663 nan 8.370 nan 0.000 0.515 517 E N -0.577 119.616 120.200 -0.013 0.000 2.358 517 E HA -0.074 4.373 4.350 0.162 0.000 0.195 517 E C 1.124 177.810 176.600 0.143 0.000 1.010 517 E CA 0.756 57.216 56.400 0.100 0.000 0.856 517 E CB -0.386 29.421 29.700 0.179 0.000 0.795 517 E HN 0.619 nan 8.360 nan 0.000 0.504 518 H N -2.756 116.375 119.070 0.103 0.000 2.750 518 H HA 0.472 5.125 4.556 0.162 0.000 0.252 518 H C 0.645 175.983 175.328 0.018 0.000 1.176 518 H CA -0.150 55.932 56.048 0.058 0.000 0.987 518 H CB 0.290 30.070 29.762 0.029 0.000 1.810 518 H HN 0.148 nan 8.280 nan 0.000 0.630 519 G N 1.706 110.625 108.800 0.199 0.000 2.137 519 G HA2 -0.313 3.744 3.960 0.162 0.000 0.237 519 G HA3 -0.313 3.744 3.960 0.162 0.000 0.237 519 G C -0.152 174.842 174.900 0.155 0.000 1.002 519 G CA 0.261 45.436 45.100 0.125 0.000 0.702 519 G HN 0.792 nan 8.290 nan 0.000 0.515 520 H N 0.485 119.625 119.070 0.117 0.000 2.964 520 H HA 0.481 5.133 4.556 0.161 0.000 0.328 520 H C 0.015 175.347 175.328 0.007 0.000 1.030 520 H CA 1.138 57.227 56.048 0.069 0.000 1.445 520 H CB 0.976 30.757 29.762 0.032 0.000 1.449 520 H HN 0.294 nan 8.280 nan 0.000 0.581 521 S N 3.122 118.468 115.700 -0.590 0.000 2.568 521 S HA 0.184 4.751 4.470 0.162 0.000 0.293 521 S C -0.037 174.200 174.600 -0.604 0.000 1.089 521 S CA -0.705 57.179 58.200 -0.527 0.000 0.945 521 S CB 1.943 64.876 63.200 -0.446 0.000 1.077 521 S HN 0.858 nan 8.310 nan 0.000 0.485 522 Q N 1.424 121.020 119.800 -0.341 0.000 2.172 522 Q HA 0.227 4.664 4.340 0.162 0.000 0.217 522 Q C -0.778 175.189 176.000 -0.054 0.000 0.832 522 Q CA -0.313 55.412 55.803 -0.129 0.000 1.010 522 Q CB 0.081 28.816 28.738 -0.006 0.000 1.133 522 Q HN 0.847 nan 8.270 nan 0.000 0.489 523 H N -0.731 118.241 119.070 -0.163 0.000 2.741 523 H HA -0.224 4.429 4.556 0.161 0.000 0.305 523 H C 1.083 176.046 175.328 -0.608 0.000 1.169 523 H CA 0.964 56.898 56.048 -0.191 0.000 1.144 523 H CB -1.453 28.245 29.762 -0.107 0.000 1.397 523 H HN 0.708 nan 8.280 nan 0.000 0.409 524 G N -0.271 107.932 108.800 -0.995 0.000 2.217 524 G HA2 -0.329 3.728 3.960 0.162 0.000 0.246 524 G HA3 -0.329 3.728 3.960 0.162 0.000 0.246 524 G C 0.242 175.105 174.900 -0.063 0.000 0.990 524 G CA 0.242 44.622 45.100 -1.200 0.000 0.627 524 G HN 0.600 nan 8.290 nan 0.000 0.522 525 N N 1.404 120.097 118.700 -0.012 0.000 2.470 525 N HA 0.189 5.026 4.740 0.162 0.000 0.268 525 N C 0.894 176.491 175.510 0.144 0.000 1.136 525 N CA 0.554 53.651 53.050 0.078 0.000 0.961 525 N CB 0.496 39.004 38.487 0.034 0.000 1.067 525 N HN 0.500 nan 8.380 nan 0.000 0.468 526 N N 2.424 121.152 118.700 0.047 0.000 2.234 526 N HA 0.014 4.851 4.740 0.162 0.000 0.227 526 N C -0.721 174.821 175.510 0.052 0.000 1.151 526 N CA -0.258 52.745 53.050 -0.080 0.000 0.865 526 N CB -0.149 37.925 38.487 -0.687 0.000 1.066 526 N HN 0.464 nan 8.380 nan 0.000 0.515 527 N N 0.029 118.810 118.700 0.135 0.000 2.635 527 N HA 0.253 5.090 4.740 0.162 0.000 0.252 527 N C -0.778 174.819 175.510 0.144 0.000 1.589 527 N CA -0.204 52.970 53.050 0.207 0.000 0.828 527 N CB 0.452 39.006 38.487 0.111 0.000 1.403 527 N HN 0.210 nan 8.380 nan 0.000 0.518 528 A N 0.790 123.715 122.820 0.175 0.000 2.324 528 A HA 0.041 4.458 4.320 0.162 0.000 0.240 528 A C 1.101 178.478 177.584 -0.345 0.000 1.347 528 A CA -0.079 51.954 52.037 -0.005 0.000 1.036 528 A CB -1.186 17.890 19.000 0.126 0.000 0.917 528 A HN 0.655 nan 8.150 nan 0.000 0.519 529 Y N -1.545 118.111 120.300 -1.074 0.000 2.403 529 Y HA -0.180 4.466 4.550 0.161 0.000 0.291 529 Y C 1.590 177.125 175.900 -0.608 0.000 1.143 529 Y CA 0.831 57.876 58.100 -1.758 0.000 1.257 529 Y CB -1.315 36.186 38.460 -1.598 0.000 0.984 529 Y HN 0.511 nan 8.280 nan 0.000 0.550 530 C N -0.078 118.508 119.300 -1.191 0.000 2.760 530 C HA 0.457 5.014 4.460 0.162 0.000 0.293 530 C C -0.073 174.659 174.990 -0.430 0.000 1.383 530 C CA -0.714 57.806 59.018 -0.830 0.000 1.771 530 C CB -1.055 26.019 27.740 -1.109 0.000 2.353 530 C HN 0.379 nan 8.230 nan 0.000 0.578 531 Q N 1.913 121.478 119.800 -0.391 0.000 2.456 531 Q HA 0.290 4.728 4.340 0.162 0.000 0.252 531 Q C -1.370 174.213 176.000 -0.695 0.000 1.042 531 Q CA 0.387 55.933 55.803 -0.428 0.000 0.766 531 Q CB 1.550 30.054 28.738 -0.390 0.000 1.196 531 Q HN 0.497 nan 8.270 nan 0.000 0.504 532 D N 3.479 123.606 120.400 -0.454 0.000 2.518 532 D HA 0.242 4.979 4.640 0.162 0.000 0.230 532 D C -0.698 175.299 176.300 -0.505 0.000 1.138 532 D CA -0.031 53.743 54.000 -0.377 0.000 0.964 532 D CB -0.070 40.842 40.800 0.187 0.000 1.011 532 D HN 0.549 nan 8.370 nan 0.000 0.517 533 N N 0.555 118.454 118.700 -1.335 0.000 3.427 533 N HA 0.162 4.999 4.740 0.162 0.000 0.313 533 N C -0.850 173.427 175.510 -2.055 0.000 1.491 533 N CA -0.740 51.201 53.050 -1.849 0.000 0.870 533 N CB 0.260 38.285 38.487 -0.770 0.000 1.763 533 N HN -0.113 nan 8.380 nan 0.000 0.502 534 Q N -0.210 118.915 119.800 -1.124 0.000 2.722 534 Q HA 0.364 4.801 4.340 0.162 0.000 0.214 534 Q C 0.767 176.547 176.000 -0.366 0.000 1.109 534 Q CA 0.550 56.079 55.803 -0.457 0.000 1.066 534 Q CB 0.159 28.805 28.738 -0.152 0.000 1.290 534 Q HN 0.925 nan 8.270 nan 0.000 0.620 535 L N -3.341 117.829 121.223 -0.088 0.000 4.808 535 L HA -0.369 4.068 4.340 0.162 0.000 0.396 535 L C 0.517 177.379 176.870 -0.012 0.000 0.811 535 L CA 2.051 56.892 54.840 0.001 0.000 2.140 535 L CB -1.319 40.678 42.059 -0.103 0.000 1.363 535 L HN 0.732 nan 8.230 nan 0.000 0.611 536 T N -1.092 113.388 114.554 -0.123 0.000 3.176 536 T HA 0.217 4.664 4.350 0.162 0.000 0.259 536 T C -0.000 174.800 174.700 0.167 0.000 0.978 536 T CA 0.352 62.424 62.100 -0.047 0.000 1.050 536 T CB -0.062 68.488 68.868 -0.530 0.000 1.136 536 T HN 0.319 nan 8.240 nan 0.000 0.465 537 W N 2.462 123.793 121.300 0.051 0.000 2.181 537 W HA 0.394 5.151 4.660 0.161 0.000 0.335 537 W C -0.184 176.356 176.519 0.034 0.000 1.310 537 W CA -1.563 55.831 57.345 0.081 0.000 1.226 537 W CB -0.422 29.130 29.460 0.153 0.000 1.155 537 W HN 0.094 nan 8.180 nan 0.000 0.565 538 L N 3.364 124.672 121.223 0.141 0.000 2.477 538 L HA -0.042 4.395 4.340 0.162 0.000 0.272 538 L C 0.503 177.303 176.870 -0.118 0.000 1.157 538 L CA 0.370 55.087 54.840 -0.206 0.000 0.889 538 L CB -0.348 41.492 42.059 -0.365 0.000 1.158 538 L HN 0.195 nan 8.230 nan 0.000 0.473 539 D N 2.867 123.202 120.400 -0.107 0.000 2.479 539 D HA 0.052 4.789 4.640 0.162 0.000 0.218 539 D C 0.541 176.684 176.300 -0.262 0.000 1.131 539 D CA -0.214 53.757 54.000 -0.049 0.000 0.916 539 D CB 0.243 41.077 40.800 0.057 0.000 1.022 539 D HN 0.393 nan 8.370 nan 0.000 0.515 540 W N 1.666 122.858 121.300 -0.179 0.000 2.388 540 W HA -0.152 4.605 4.660 0.161 0.000 0.294 540 W C 2.609 178.973 176.519 -0.259 0.000 1.212 540 W CA 0.983 58.126 57.345 -0.337 0.000 1.271 540 W CB -0.613 28.537 29.460 -0.516 0.000 1.126 540 W HN 0.434 nan 8.180 nan 0.000 0.535 541 S N -0.358 115.371 115.700 0.048 0.000 2.493 541 S HA -0.181 4.386 4.470 0.162 0.000 0.243 541 S C 1.463 176.053 174.600 -0.016 0.000 0.991 541 S CA 1.137 59.345 58.200 0.012 0.000 0.957 541 S CB -0.243 62.970 63.200 0.022 0.000 0.756 541 S HN 0.254 nan 8.310 nan 0.000 0.521 542 Q N 0.269 120.037 119.800 -0.053 0.000 2.189 542 Q HA 0.510 4.947 4.340 0.162 0.000 0.223 542 Q C 0.465 176.390 176.000 -0.125 0.000 0.828 542 Q CA 0.338 56.105 55.803 -0.060 0.000 0.967 542 Q CB 0.684 29.406 28.738 -0.026 0.000 1.139 542 Q HN 0.655 nan 8.270 nan 0.000 0.497 543 A N 1.314 123.982 122.820 -0.253 0.000 2.483 543 A HA 0.231 4.648 4.320 0.162 0.000 0.238 543 A C 0.326 177.839 177.584 -0.118 0.000 1.070 543 A CA 0.113 51.894 52.037 -0.428 0.000 0.770 543 A CB 0.366 18.883 19.000 -0.806 0.000 1.008 543 A HN 0.083 nan 8.150 nan 0.000 0.497 544 S N 1.520 117.218 115.700 -0.003 0.000 2.439 544 S HA 0.279 4.846 4.470 0.162 0.000 0.282 544 S C 1.129 175.804 174.600 0.124 0.000 1.170 544 S CA -0.206 58.033 58.200 0.066 0.000 1.054 544 S CB 0.366 63.612 63.200 0.077 0.000 0.956 544 S HN 0.678 nan 8.310 nan 0.000 0.490 545 S N 4.273 120.036 115.700 0.105 0.000 2.406 545 S HA 0.012 4.579 4.470 0.162 0.000 0.228 545 S C 2.056 176.736 174.600 0.133 0.000 1.020 545 S CA 1.009 59.289 58.200 0.133 0.000 0.965 545 S CB -0.501 62.761 63.200 0.102 0.000 0.798 545 S HN 0.889 nan 8.310 nan 0.000 0.488 546 G N 1.817 110.684 108.800 0.110 0.000 2.433 546 G HA2 -0.153 3.904 3.960 0.162 0.000 0.216 546 G HA3 -0.153 3.904 3.960 0.162 0.000 0.216 546 G C 1.349 176.341 174.900 0.153 0.000 1.186 546 G CA 0.702 45.870 45.100 0.114 0.000 0.779 546 G HN 0.421 nan 8.290 nan 0.000 0.543 547 L N 1.029 122.340 121.223 0.147 0.000 2.141 547 L HA 0.032 4.469 4.340 0.162 0.000 0.209 547 L C 2.924 179.934 176.870 0.233 0.000 1.094 547 L CA 2.238 57.177 54.840 0.165 0.000 0.763 547 L CB -0.800 41.326 42.059 0.113 0.000 0.908 547 L HN 0.191 nan 8.230 nan 0.000 0.437 548 T N -0.305 114.387 114.554 0.230 0.000 2.674 548 T HA -0.180 4.267 4.350 0.162 0.000 0.265 548 T C 1.905 176.718 174.700 0.188 0.000 1.039 548 T CA 1.464 63.716 62.100 0.252 0.000 1.150 548 T CB -0.543 68.519 68.868 0.324 0.000 0.864 548 T HN 0.506 nan 8.240 nan 0.000 0.427 549 A N 0.874 123.788 122.820 0.157 0.000 1.933 549 A HA -0.029 4.388 4.320 0.162 0.000 0.218 549 A C 2.039 179.659 177.584 0.060 0.000 1.175 549 A CA 1.390 53.478 52.037 0.086 0.000 0.628 549 A CB -1.016 18.024 19.000 0.067 0.000 0.814 549 A HN 0.527 nan 8.150 nan 0.000 0.444 550 F N 1.279 121.195 119.950 -0.058 0.000 2.134 550 F HA -0.175 4.449 4.527 0.162 0.000 0.299 550 F C 2.403 178.126 175.800 -0.128 0.000 1.097 550 F CA 2.274 60.176 58.000 -0.163 0.000 1.264 550 F CB -0.352 38.520 39.000 -0.213 0.000 1.001 550 F HN 0.209 nan 8.300 nan 0.000 0.479 551 T N 0.392 115.083 114.554 0.227 0.000 2.812 551 T HA -0.074 4.373 4.350 0.162 0.000 0.264 551 T C 2.204 176.916 174.700 0.020 0.000 1.042 551 T CA 1.162 63.348 62.100 0.143 0.000 1.140 551 T CB -0.719 68.265 68.868 0.193 0.000 0.870 551 T HN 0.363 nan 8.240 nan 0.000 0.445 552 A N 1.457 124.297 122.820 0.034 0.000 1.933 552 A HA 0.169 4.586 4.320 0.162 0.000 0.218 552 A C 2.603 180.246 177.584 0.099 0.000 1.175 552 A CA 1.747 53.824 52.037 0.066 0.000 0.628 552 A CB -0.987 18.031 19.000 0.030 0.000 0.814 552 A HN 0.499 nan 8.150 nan 0.000 0.444 553 A N -0.789 121.989 122.820 -0.069 0.000 1.930 553 A HA 0.029 4.447 4.320 0.162 0.000 0.217 553 A C 2.032 179.543 177.584 -0.122 0.000 1.175 553 A CA 1.586 53.550 52.037 -0.122 0.000 0.627 553 A CB -0.492 18.360 19.000 -0.247 0.000 0.815 553 A HN 0.409 nan 8.150 nan 0.000 0.443 554 L N -0.005 121.091 121.223 -0.212 0.000 2.017 554 L HA -0.118 4.319 4.340 0.162 0.000 0.208 554 L C 2.367 179.190 176.870 -0.078 0.000 1.073 554 L CA 1.633 56.370 54.840 -0.173 0.000 0.745 554 L CB -0.613 41.334 42.059 -0.186 0.000 0.894 554 L HN 0.431 nan 8.230 nan 0.000 0.432 555 I N -1.583 118.951 120.570 -0.059 0.000 2.286 555 I HA -0.326 3.941 4.170 0.162 0.000 0.248 555 I C 2.165 178.169 176.117 -0.187 0.000 1.115 555 I CA 1.110 62.339 61.300 -0.119 0.000 1.392 555 I CB -0.342 37.562 38.000 -0.160 0.000 1.065 555 I HN 0.355 nan 8.210 nan 0.000 0.418 556 H N -0.378 118.633 119.070 -0.098 0.000 2.470 556 H HA -0.075 4.578 4.556 0.162 0.000 0.289 556 H C 1.746 177.021 175.328 -0.089 0.000 1.033 556 H CA 0.788 56.784 56.048 -0.087 0.000 1.331 556 H CB 0.053 29.767 29.762 -0.080 0.000 1.414 556 H HN 0.167 nan 8.280 nan 0.000 0.545 557 L N 0.912 122.134 121.223 -0.002 0.000 2.027 557 L HA -0.086 4.351 4.340 0.162 0.000 0.206 557 L C 2.389 179.173 176.870 -0.143 0.000 1.074 557 L CA 1.617 56.419 54.840 -0.064 0.000 0.745 557 L CB -0.615 41.405 42.059 -0.065 0.000 0.898 557 L HN 0.077 nan 8.230 nan 0.000 0.433 558 R N 0.142 120.569 120.500 -0.122 0.000 2.113 558 R HA -0.248 4.189 4.340 0.162 0.000 0.244 558 R C 2.210 178.429 176.300 -0.135 0.000 1.142 558 R CA 2.341 58.363 56.100 -0.130 0.000 0.953 558 R CB -0.285 29.955 30.300 -0.100 0.000 0.860 558 R HN 0.451 nan 8.270 nan 0.000 0.438 559 K N -0.193 120.135 120.400 -0.120 0.000 2.281 559 K HA -0.163 4.254 4.320 0.162 0.000 0.203 559 K C 2.011 178.566 176.600 -0.074 0.000 1.046 559 K CA 1.476 57.706 56.287 -0.096 0.000 0.938 559 K CB -0.085 32.355 32.500 -0.100 0.000 0.737 559 K HN 0.293 nan 8.250 nan 0.000 0.458 560 R N 0.379 120.820 120.500 -0.099 0.000 2.300 560 R HA 0.189 4.626 4.340 0.162 0.000 0.199 560 R C 0.324 176.533 176.300 -0.152 0.000 0.920 560 R CA 0.130 56.188 56.100 -0.070 0.000 1.046 560 R CB 0.277 30.566 30.300 -0.019 0.000 0.984 560 R HN 0.086 nan 8.270 nan 0.000 0.493 561 I N 1.993 122.395 120.570 -0.280 0.000 2.297 561 I HA 0.168 4.435 4.170 0.162 0.000 0.291 561 I C -1.768 174.319 176.117 -0.051 0.000 1.033 561 I CA -2.416 58.705 61.300 -0.297 0.000 1.253 561 I CB 1.657 39.395 38.000 -0.436 0.000 1.396 561 I HN -0.241 nan 8.210 nan 0.000 0.476 562 P HA -0.232 nan 4.420 nan 0.000 0.216 562 P C 1.458 178.806 177.300 0.080 0.000 1.150 562 P CA 1.231 64.368 63.100 0.061 0.000 0.843 562 P CB 0.308 32.056 31.700 0.080 0.000 0.787 563 A N -1.264 121.603 122.820 0.079 0.000 2.121 563 A HA -0.096 4.321 4.320 0.162 0.000 0.218 563 A C 1.983 179.800 177.584 0.387 0.000 1.154 563 A CA 1.211 53.353 52.037 0.175 0.000 0.679 563 A CB -1.280 17.633 19.000 -0.144 0.000 0.795 563 A HN 0.176 nan 8.150 nan 0.000 0.458 564 L N -1.452 119.884 121.223 0.189 0.000 2.556 564 L HA 0.071 4.508 4.340 0.162 0.000 0.226 564 L C 1.589 178.468 176.870 0.016 0.000 1.089 564 L CA 0.186 55.094 54.840 0.114 0.000 0.864 564 L CB 0.262 42.346 42.059 0.042 0.000 1.067 564 L HN 0.175 nan 8.230 nan 0.000 0.477 565 V N -0.974 118.951 119.914 0.019 0.000 3.565 565 V HA 0.022 4.239 4.120 0.162 0.000 0.260 565 V C 1.873 177.966 176.094 -0.002 0.000 1.231 565 V CA 0.522 62.816 62.300 -0.011 0.000 1.100 565 V CB 0.256 32.068 31.823 -0.019 0.000 0.807 565 V HN 0.336 nan 8.190 nan 0.000 0.454 566 E N 0.526 120.743 120.200 0.027 0.000 2.358 566 E HA -0.090 4.357 4.350 0.162 0.000 0.195 566 E C 0.686 177.276 176.600 -0.016 0.000 1.010 566 E CA 0.388 56.802 56.400 0.024 0.000 0.856 566 E CB -0.064 29.673 29.700 0.060 0.000 0.795 566 E HN 0.509 nan 8.360 nan 0.000 0.504 567 N N 1.205 119.867 118.700 -0.064 0.000 2.740 567 N HA -0.155 4.682 4.740 0.162 0.000 0.248 567 N C -1.448 173.916 175.510 -0.244 0.000 1.062 567 N CA 0.565 53.505 53.050 -0.182 0.000 0.704 567 N CB -0.548 37.859 38.487 -0.133 0.000 0.968 567 N HN 0.013 nan 8.380 nan 0.000 0.547 568 R N -0.274 120.109 120.500 -0.194 0.000 2.686 568 R HA 0.301 4.738 4.340 0.162 0.000 0.286 568 R C -0.182 175.998 176.300 -0.200 0.000 0.969 568 R CA -0.520 55.492 56.100 -0.147 0.000 0.898 568 R CB 0.361 30.692 30.300 0.051 0.000 1.183 568 R HN 0.153 nan 8.270 nan 0.000 0.456 569 W N 1.791 123.083 121.300 -0.013 0.000 2.193 569 W HA 0.054 4.810 4.660 0.161 0.000 0.338 569 W C 0.326 176.935 176.519 0.151 0.000 1.310 569 W CA -0.206 57.110 57.345 -0.049 0.000 1.243 569 W CB 0.396 29.851 29.460 -0.008 0.000 1.165 569 W HN 0.312 nan 8.180 nan 0.000 0.566 570 W N 3.095 124.602 121.300 0.343 0.000 2.315 570 W HA 0.253 5.010 4.660 0.162 0.000 0.316 570 W C 0.010 176.671 176.519 0.237 0.000 1.211 570 W CA -0.984 56.505 57.345 0.241 0.000 1.201 570 W CB 0.278 29.878 29.460 0.232 0.000 1.184 570 W HN 0.154 nan 8.180 nan 0.000 0.544 571 E N 1.157 121.594 120.200 0.397 0.000 2.183 571 E HA 0.100 4.547 4.350 0.162 0.000 0.271 571 E C -0.595 176.143 176.600 0.229 0.000 0.919 571 E CA -1.385 55.178 56.400 0.270 0.000 0.781 571 E CB 1.680 31.499 29.700 0.199 0.000 1.140 571 E HN 0.337 nan 8.360 nan 0.000 0.402 572 E N 0.608 120.935 120.200 0.211 0.000 3.025 572 E HA 0.003 4.450 4.350 0.162 0.000 0.248 572 E C 0.990 177.675 176.600 0.141 0.000 0.938 572 E CA 1.579 58.093 56.400 0.190 0.000 0.958 572 E CB -0.365 29.430 29.700 0.159 0.000 0.898 572 E HN 0.749 nan 8.360 nan 0.000 0.537 573 G N 4.224 113.100 108.800 0.126 0.000 2.184 573 G HA2 -0.380 3.677 3.960 0.162 0.000 0.264 573 G HA3 -0.380 3.677 3.960 0.162 0.000 0.264 573 G C 0.626 175.565 174.900 0.065 0.000 0.975 573 G CA 0.690 45.840 45.100 0.084 0.000 0.642 573 G HN 0.747 nan 8.290 nan 0.000 0.536 574 D N -0.142 120.304 120.400 0.077 0.000 2.378 574 D HA 0.353 5.090 4.640 0.162 0.000 0.227 574 D C 1.956 178.269 176.300 0.022 0.000 1.012 574 D CA 1.302 55.341 54.000 0.065 0.000 0.905 574 D CB -0.579 40.283 40.800 0.104 0.000 0.895 574 D HN 1.641 nan 8.370 nan 0.000 0.532 575 G N 0.333 109.127 108.800 -0.011 0.000 2.258 575 G HA2 -0.372 3.685 3.960 0.162 0.000 0.233 575 G HA3 -0.372 3.685 3.960 0.162 0.000 0.233 575 G C 1.276 176.096 174.900 -0.133 0.000 1.006 575 G CA 0.223 45.293 45.100 -0.049 0.000 0.620 575 G HN 0.326 nan 8.290 nan 0.000 0.511 576 N N -0.031 118.543 118.700 -0.209 0.000 2.166 576 N HA 0.078 4.915 4.740 0.162 0.000 0.186 576 N C 0.745 175.841 175.510 -0.691 0.000 1.019 576 N CA 1.894 54.654 53.050 -0.483 0.000 0.856 576 N CB 0.331 38.354 38.487 -0.774 0.000 0.993 576 N HN 0.791 nan 8.380 nan 0.000 0.426 577 V N -0.269 119.310 119.914 -0.559 0.000 3.204 577 V HA 0.457 4.674 4.120 0.162 0.000 0.298 577 V C -1.659 174.183 176.094 -0.420 0.000 1.328 577 V CA -0.833 61.105 62.300 -0.604 0.000 1.035 577 V CB 2.541 33.829 31.823 -0.892 0.000 1.095 577 V HN 0.038 nan 8.190 nan 0.000 0.442 578 R N 3.548 123.754 120.500 -0.491 0.000 2.604 578 R HA 0.470 4.907 4.340 0.162 0.000 0.281 578 R C -2.177 173.890 176.300 -0.388 0.000 1.020 578 R CA -0.437 55.487 56.100 -0.293 0.000 0.899 578 R CB 2.184 32.415 30.300 -0.115 0.000 1.205 578 R HN 0.678 nan 8.270 nan 0.000 0.450 579 W N 4.290 125.661 121.300 0.119 0.000 2.329 579 W HA 0.518 5.275 4.660 0.162 0.000 0.312 579 W C -0.427 176.097 176.519 0.008 0.000 1.054 579 W CA -0.495 56.919 57.345 0.115 0.000 1.245 579 W CB 0.819 30.477 29.460 0.331 0.000 1.255 579 W HN 0.151 nan 8.180 nan 0.000 0.436 580 L N 4.002 125.293 121.223 0.113 0.000 2.354 580 L HA 0.484 4.921 4.340 0.162 0.000 0.269 580 L C 0.375 177.229 176.870 -0.028 0.000 1.005 580 L CA -1.235 53.617 54.840 0.019 0.000 0.819 580 L CB 1.365 43.407 42.059 -0.028 0.000 1.311 580 L HN 0.503 nan 8.230 nan 0.000 0.423 581 N N 1.129 119.808 118.700 -0.036 0.000 2.381 581 N HA 0.131 4.968 4.740 0.162 0.000 0.289 581 N C 0.731 176.225 175.510 -0.027 0.000 1.288 581 N CA -0.564 52.461 53.050 -0.041 0.000 0.960 581 N CB 0.179 38.667 38.487 0.002 0.000 1.116 581 N HN 0.581 nan 8.380 nan 0.000 0.557 582 R N -2.020 118.448 120.500 -0.054 0.000 2.285 582 R HA -0.057 4.380 4.340 0.162 0.000 0.213 582 R C 0.206 176.329 176.300 -0.295 0.000 1.068 582 R CA 1.171 57.157 56.100 -0.190 0.000 1.004 582 R CB -0.650 29.471 30.300 -0.297 0.000 0.873 582 R HN 0.598 nan 8.270 nan 0.000 0.467 583 Y N 0.032 120.301 120.300 -0.052 0.000 2.485 583 Y HA 0.440 5.087 4.550 0.162 0.000 0.260 583 Y C 1.008 176.878 175.900 -0.051 0.000 1.173 583 Y CA 0.035 58.108 58.100 -0.046 0.000 1.252 583 Y CB 0.875 39.312 38.460 -0.039 0.000 1.123 583 Y HN 0.257 nan 8.280 nan 0.000 0.524 584 A N -0.357 122.491 122.820 0.046 0.000 2.969 584 A HA -0.189 4.228 4.320 0.162 0.000 0.252 584 A C -0.018 177.583 177.584 0.028 0.000 1.377 584 A CA 0.395 52.430 52.037 -0.003 0.000 0.859 584 A CB -1.867 17.120 19.000 -0.022 0.000 1.077 584 A HN 0.294 nan 8.150 nan 0.000 0.671 585 Q N -1.223 118.609 119.800 0.053 0.000 2.306 585 Q HA 0.526 4.963 4.340 0.162 0.000 0.265 585 Q C -2.819 173.196 176.000 0.025 0.000 1.022 585 Q CA -2.217 53.608 55.803 0.037 0.000 0.853 585 Q CB 1.066 29.821 28.738 0.029 0.000 1.327 585 Q HN 0.289 nan 8.270 nan 0.000 0.449 586 P HA 0.004 nan 4.420 nan 0.000 0.263 586 P C -0.234 177.073 177.300 0.012 0.000 1.195 586 P CA 0.211 63.350 63.100 0.065 0.000 0.762 586 P CB 0.319 32.075 31.700 0.094 0.000 0.799 587 L N 2.406 123.589 121.223 -0.066 0.000 2.514 587 L HA 0.013 4.450 4.340 0.162 0.000 0.280 587 L C 1.322 178.117 176.870 -0.125 0.000 1.223 587 L CA 0.459 55.134 54.840 -0.275 0.000 0.864 587 L CB 0.021 41.543 42.059 -0.894 0.000 1.118 587 L HN 0.490 nan 8.230 nan 0.000 0.494 588 S N 0.417 116.055 115.700 -0.104 0.000 2.694 588 S HA 0.150 4.717 4.470 0.162 0.000 0.278 588 S C 0.980 175.640 174.600 0.099 0.000 1.152 588 S CA -0.080 58.132 58.200 0.021 0.000 1.010 588 S CB 1.442 64.644 63.200 0.004 0.000 1.104 588 S HN 0.694 nan 8.310 nan 0.000 0.547 589 T N 0.434 115.070 114.554 0.137 0.000 2.652 589 T HA -0.159 4.288 4.350 0.162 0.000 0.267 589 T C 1.191 175.983 174.700 0.152 0.000 1.039 589 T CA 2.180 64.387 62.100 0.177 0.000 1.153 589 T CB -1.189 67.743 68.868 0.107 0.000 0.863 589 T HN 0.624 nan 8.240 nan 0.000 0.428 590 D N 1.047 121.495 120.400 0.080 0.000 2.088 590 D HA -0.107 4.630 4.640 0.162 0.000 0.191 590 D C 2.185 178.520 176.300 0.059 0.000 0.992 590 D CA 1.452 55.488 54.000 0.060 0.000 0.831 590 D CB -0.634 40.182 40.800 0.027 0.000 0.973 590 D HN 0.632 nan 8.370 nan 0.000 0.447 591 E N -0.220 119.979 120.200 -0.001 0.000 2.197 591 E HA -0.230 4.217 4.350 0.162 0.000 0.205 591 E C 2.121 178.693 176.600 -0.048 0.000 1.029 591 E CA 1.157 57.513 56.400 -0.074 0.000 0.828 591 E CB -0.325 29.260 29.700 -0.191 0.000 0.737 591 E HN 0.502 nan 8.360 nan 0.000 0.464 592 W N 0.329 121.633 121.300 0.006 0.000 2.467 592 W HA -0.105 4.652 4.660 0.162 0.000 0.275 592 W C 2.566 179.079 176.519 -0.010 0.000 1.239 592 W CA -0.016 57.321 57.345 -0.013 0.000 1.266 592 W CB 0.302 29.741 29.460 -0.036 0.000 1.112 592 W HN 0.051 nan 8.180 nan 0.000 0.576 593 Q N -0.229 119.710 119.800 0.231 0.000 2.063 593 Q HA -0.035 4.402 4.340 0.162 0.000 0.194 593 Q C 1.240 177.298 176.000 0.096 0.000 0.974 593 Q CA 1.554 57.439 55.803 0.135 0.000 0.827 593 Q CB -0.916 27.878 28.738 0.094 0.000 0.902 593 Q HN 0.581 nan 8.270 nan 0.000 0.462 594 N N -0.618 118.124 118.700 0.070 0.000 2.299 594 N HA 0.284 5.121 4.740 0.162 0.000 0.246 594 N C 0.354 175.883 175.510 0.030 0.000 1.254 594 N CA -0.162 52.916 53.050 0.047 0.000 0.879 594 N CB 0.746 39.252 38.487 0.033 0.000 1.214 594 N HN -0.034 nan 8.380 nan 0.000 0.510 595 G N 1.834 110.651 108.800 0.028 0.000 2.572 595 G HA2 0.305 4.362 3.960 0.162 0.000 0.261 595 G HA3 0.305 4.362 3.960 0.162 0.000 0.261 595 G C -2.104 172.792 174.900 -0.006 0.000 1.197 595 G CA -0.972 44.128 45.100 -0.001 0.000 0.870 595 G HN 0.096 nan 8.290 nan 0.000 0.548 596 P HA 0.093 nan 4.420 nan 0.000 0.266 596 P C -0.518 176.757 177.300 -0.041 0.000 1.195 596 P CA -0.211 62.867 63.100 -0.037 0.000 0.768 596 P CB 0.730 32.402 31.700 -0.047 0.000 0.838 597 K N 3.323 123.687 120.400 -0.060 0.000 2.199 597 K HA 0.097 4.514 4.320 0.162 0.000 0.226 597 K C 0.334 176.884 176.600 -0.082 0.000 1.237 597 K CA 0.333 56.581 56.287 -0.065 0.000 1.170 597 K CB -0.563 31.814 32.500 -0.205 0.000 1.418 597 K HN 0.544 nan 8.250 nan 0.000 0.255 598 Q N 1.713 121.491 119.800 -0.038 0.000 2.289 598 Q HA 0.685 5.122 4.340 0.162 0.000 0.270 598 Q C -0.486 175.508 176.000 -0.010 0.000 1.038 598 Q CA -0.857 54.937 55.803 -0.015 0.000 0.812 598 Q CB 2.524 31.244 28.738 -0.030 0.000 1.300 598 Q HN 0.391 nan 8.270 nan 0.000 0.427 599 L N -1.630 119.610 121.223 0.029 0.000 2.892 599 L HA 0.598 5.035 4.340 0.162 0.000 0.269 599 L C -1.844 175.043 176.870 0.029 0.000 1.058 599 L CA -1.048 53.803 54.840 0.019 0.000 0.923 599 L CB 2.244 44.332 42.059 0.049 0.000 1.518 599 L HN 0.543 nan 8.230 nan 0.000 0.402 600 Q N 1.298 121.097 119.800 -0.001 0.000 2.356 600 Q HA 0.683 5.120 4.340 0.162 0.000 0.270 600 Q C -1.397 174.560 176.000 -0.072 0.000 1.058 600 Q CA -0.582 55.173 55.803 -0.080 0.000 0.802 600 Q CB 3.181 31.812 28.738 -0.180 0.000 1.303 600 Q HN 0.557 nan 8.270 nan 0.000 0.444 601 I N 4.238 124.727 120.570 -0.135 0.000 2.437 601 I HA 0.267 4.534 4.170 0.162 0.000 0.279 601 I C -0.577 175.401 176.117 -0.232 0.000 1.028 601 I CA -0.663 60.484 61.300 -0.255 0.000 1.142 601 I CB 0.722 38.520 38.000 -0.337 0.000 1.266 601 I HN 0.395 nan 8.210 nan 0.000 0.461 602 L N 5.512 126.588 121.223 -0.245 0.000 2.272 602 L HA 0.726 5.163 4.340 0.162 0.000 0.289 602 L C -1.083 175.702 176.870 -0.141 0.000 1.032 602 L CA -0.597 54.168 54.840 -0.125 0.000 0.810 602 L CB 1.075 43.093 42.059 -0.069 0.000 1.205 602 L HN 0.424 nan 8.230 nan 0.000 0.422 603 L N 3.150 124.360 121.223 -0.022 0.000 2.322 603 L HA 0.438 4.875 4.340 0.162 0.000 0.279 603 L C 1.061 177.970 176.870 0.066 0.000 1.036 603 L CA -0.823 53.967 54.840 -0.083 0.000 0.807 603 L CB 1.718 43.760 42.059 -0.028 0.000 1.226 603 L HN 0.933 nan 8.230 nan 0.000 0.433 604 S N 1.182 116.857 115.700 -0.042 0.000 3.419 604 S HA -0.233 4.334 4.470 0.162 0.000 0.350 604 S C 0.656 175.281 174.600 0.041 0.000 1.128 604 S CA 1.153 59.370 58.200 0.028 0.000 0.999 604 S CB -1.456 61.830 63.200 0.143 0.000 0.923 604 S HN 1.172 nan 8.310 nan 0.000 0.522 605 D N -0.924 119.492 120.400 0.027 0.000 2.913 605 D HA -0.290 4.447 4.640 0.162 0.000 0.228 605 D C 0.368 176.685 176.300 0.028 0.000 1.180 605 D CA 2.155 56.186 54.000 0.051 0.000 0.761 605 D CB -1.350 39.457 40.800 0.011 0.000 1.085 605 D HN 0.768 nan 8.370 nan 0.000 0.420 606 R N -1.683 118.803 120.500 -0.025 0.000 2.513 606 R HA 0.319 4.756 4.340 0.162 0.000 0.245 606 R C -0.246 175.840 176.300 -0.357 0.000 0.908 606 R CA -0.119 55.778 56.100 -0.340 0.000 1.023 606 R CB 0.673 30.623 30.300 -0.584 0.000 1.338 606 R HN 0.108 nan 8.270 nan 0.000 0.575 607 F N 0.965 121.091 119.950 0.294 0.000 2.482 607 F HA 0.499 5.124 4.527 0.162 0.000 0.331 607 F C -0.476 175.467 175.800 0.239 0.000 1.115 607 F CA -1.031 57.158 58.000 0.315 0.000 0.955 607 F CB 1.816 40.912 39.000 0.159 0.000 1.136 607 F HN -0.214 nan 8.300 nan 0.000 0.452 608 L N 4.597 126.011 121.223 0.318 0.000 2.410 608 L HA 0.673 5.110 4.340 0.162 0.000 0.270 608 L C -1.446 175.422 176.870 -0.004 0.000 0.983 608 L CA -0.426 54.362 54.840 -0.087 0.000 0.822 608 L CB 1.586 43.164 42.059 -0.802 0.000 1.285 608 L HN 0.554 nan 8.230 nan 0.000 0.409 609 I N 5.006 125.539 120.570 -0.061 0.000 2.330 609 I HA 0.500 4.767 4.170 0.162 0.000 0.289 609 I C 0.107 176.148 176.117 -0.126 0.000 1.001 609 I CA -0.485 60.782 61.300 -0.056 0.000 1.193 609 I CB 1.767 39.780 38.000 0.023 0.000 1.345 609 I HN 0.705 nan 8.210 nan 0.000 0.461 610 A N 8.268 130.947 122.820 -0.235 0.000 2.274 610 A HA 0.719 5.136 4.320 0.162 0.000 0.309 610 A C -0.486 177.024 177.584 -0.125 0.000 1.226 610 A CA -0.410 51.443 52.037 -0.306 0.000 0.853 610 A CB 0.459 19.032 19.000 -0.713 0.000 1.146 610 A HN 0.543 nan 8.150 nan 0.000 0.518 611 I N 2.670 123.317 120.570 0.128 0.000 2.406 611 I HA 0.302 4.569 4.170 0.162 0.000 0.290 611 I C 0.016 176.315 176.117 0.303 0.000 0.999 611 I CA -0.246 61.232 61.300 0.296 0.000 1.124 611 I CB 1.455 39.579 38.000 0.206 0.000 1.289 611 I HN 0.850 nan 8.210 nan 0.000 0.441 612 N N 4.983 123.908 118.700 0.375 0.000 2.804 612 N HA 0.397 5.234 4.740 0.162 0.000 0.251 612 N C -0.158 175.390 175.510 0.063 0.000 1.250 612 N CA -0.202 52.953 53.050 0.175 0.000 0.820 612 N CB 1.046 39.614 38.487 0.134 0.000 1.156 612 N HN 0.706 nan 8.380 nan 0.000 0.512 613 A N 2.024 124.721 122.820 -0.204 0.000 2.648 613 A HA 0.154 4.571 4.320 0.162 0.000 0.269 613 A C 0.806 178.218 177.584 -0.287 0.000 1.392 613 A CA -0.155 51.609 52.037 -0.455 0.000 1.019 613 A CB -0.643 17.518 19.000 -1.399 0.000 1.009 613 A HN 0.627 nan 8.150 nan 0.000 0.565 614 T N -4.216 110.222 114.554 -0.193 0.000 2.870 614 T HA 0.564 5.011 4.350 0.162 0.000 0.277 614 T C 0.359 174.870 174.700 -0.315 0.000 1.000 614 T CA -0.557 61.388 62.100 -0.259 0.000 0.982 614 T CB 0.611 69.366 68.868 -0.189 0.000 1.249 614 T HN -0.077 nan 8.240 nan 0.000 0.589 615 L N 0.561 121.568 121.223 -0.360 0.000 2.607 615 L HA 0.358 4.795 4.340 0.162 0.000 0.228 615 L C 0.687 177.437 176.870 -0.199 0.000 1.123 615 L CA 0.189 54.839 54.840 -0.316 0.000 0.890 615 L CB -0.637 41.207 42.059 -0.359 0.000 1.103 615 L HN 0.810 nan 8.230 nan 0.000 0.468 616 E N -1.797 118.294 120.200 -0.182 0.000 2.293 616 E HA 0.477 4.924 4.350 0.162 0.000 0.270 616 E C -0.812 175.688 176.600 -0.167 0.000 0.879 616 E CA -1.016 55.291 56.400 -0.155 0.000 0.756 616 E CB 2.034 31.656 29.700 -0.129 0.000 1.208 616 E HN -0.239 nan 8.360 nan 0.000 0.428 617 V N 2.748 122.559 119.914 -0.172 0.000 2.644 617 V HA 0.075 4.292 4.120 0.162 0.000 0.305 617 V C 0.541 176.513 176.094 -0.204 0.000 1.053 617 V CA 1.121 63.296 62.300 -0.207 0.000 1.186 617 V CB -0.059 31.651 31.823 -0.188 0.000 0.895 617 V HN 0.945 nan 8.190 nan 0.000 0.490 618 T N 1.954 116.357 114.554 -0.252 0.000 2.831 618 T HA 0.654 5.101 4.350 0.162 0.000 0.287 618 T C -0.804 173.740 174.700 -0.261 0.000 1.070 618 T CA -1.039 60.930 62.100 -0.218 0.000 1.010 618 T CB 2.183 70.946 68.868 -0.176 0.000 1.264 618 T HN 0.579 nan 8.240 nan 0.000 0.532 619 E N 0.154 120.233 120.200 -0.201 0.000 2.171 619 E HA 0.567 5.014 4.350 0.162 0.000 0.271 619 E C -1.000 175.511 176.600 -0.148 0.000 0.916 619 E CA -0.672 55.621 56.400 -0.178 0.000 0.774 619 E CB 2.030 31.643 29.700 -0.144 0.000 1.128 619 E HN 0.481 nan 8.360 nan 0.000 0.403 620 I N 3.086 123.622 120.570 -0.055 0.000 2.418 620 I HA 0.205 4.472 4.170 0.162 0.000 0.287 620 I C -0.504 175.582 176.117 -0.052 0.000 1.008 620 I CA -1.009 60.274 61.300 -0.028 0.000 1.104 620 I CB 1.843 39.945 38.000 0.171 0.000 1.264 620 I HN 0.214 nan 8.210 nan 0.000 0.438 621 V N 7.336 127.176 119.914 -0.123 0.000 2.427 621 V HA 0.141 4.358 4.120 0.162 0.000 0.268 621 V C 0.375 176.385 176.094 -0.140 0.000 1.046 621 V CA -0.375 61.865 62.300 -0.101 0.000 0.970 621 V CB 0.641 32.425 31.823 -0.065 0.000 1.001 621 V HN 0.408 nan 8.190 nan 0.000 0.476 622 L N 9.145 130.245 121.223 -0.205 0.000 2.464 622 L HA 0.360 4.797 4.340 0.162 0.000 0.264 622 L C -1.419 175.333 176.870 -0.197 0.000 1.199 622 L CA -0.913 53.711 54.840 -0.360 0.000 0.818 622 L CB -0.034 41.653 42.059 -0.619 0.000 1.102 622 L HN 0.448 nan 8.230 nan 0.000 0.473 623 P HA 0.104 nan 4.420 nan 0.000 0.275 623 P C -0.987 176.448 177.300 0.225 0.000 1.270 623 P CA -0.583 62.528 63.100 0.019 0.000 0.791 623 P CB 0.331 32.044 31.700 0.021 0.000 1.089 624 A N -0.560 122.375 122.820 0.192 0.000 2.507 624 A HA 0.473 4.890 4.320 0.162 0.000 0.235 624 A C 0.848 178.553 177.584 0.201 0.000 1.070 624 A CA 1.052 53.185 52.037 0.160 0.000 0.768 624 A CB -1.384 17.666 19.000 0.084 0.000 1.011 624 A HN 0.981 nan 8.150 nan 0.000 0.502 625 G N 0.599 109.433 108.800 0.057 0.000 2.479 625 G HA2 0.101 4.159 3.960 0.162 0.000 0.686 625 G HA3 0.101 4.159 3.960 0.162 0.000 0.686 625 G C -0.849 173.957 174.900 -0.156 0.000 1.295 625 G CA -0.358 44.658 45.100 -0.140 0.000 0.922 625 G HN 0.905 nan 8.290 nan 0.000 0.582 626 E N -0.037 119.999 120.200 -0.273 0.000 2.063 626 E HA 0.404 4.851 4.350 0.162 0.000 0.265 626 E C -0.863 175.619 176.600 -0.196 0.000 0.919 626 E CA -0.307 56.011 56.400 -0.137 0.000 0.756 626 E CB 0.836 30.526 29.700 -0.017 0.000 1.120 626 E HN 0.411 nan 8.360 nan 0.000 0.414 627 W N 1.505 122.781 121.300 -0.040 0.000 2.365 627 W HA 0.276 5.033 4.660 0.162 0.000 0.316 627 W C 0.178 176.712 176.519 0.025 0.000 1.164 627 W CA -0.346 57.020 57.345 0.036 0.000 1.204 627 W CB 0.774 30.177 29.460 -0.096 0.000 1.213 627 W HN 0.479 nan 8.180 nan 0.000 0.539 628 H N 1.375 120.690 119.070 0.409 0.000 2.529 628 H HA 0.577 5.230 4.556 0.162 0.000 0.348 628 H C 0.109 175.629 175.328 0.320 0.000 1.079 628 H CA -0.928 55.311 56.048 0.317 0.000 1.198 628 H CB 1.306 31.159 29.762 0.152 0.000 1.521 628 H HN 0.520 nan 8.280 nan 0.000 0.514 629 A N 3.457 126.439 122.820 0.270 0.000 2.445 629 A HA 0.472 4.889 4.320 0.162 0.000 0.242 629 A C 0.234 177.857 177.584 0.066 0.000 1.075 629 A CA -0.140 51.828 52.037 -0.114 0.000 0.777 629 A CB -0.319 18.568 19.000 -0.189 0.000 1.013 629 A HN 0.763 nan 8.150 nan 0.000 0.493 630 I N -1.498 119.103 120.570 0.051 0.000 3.002 630 I HA 0.644 4.911 4.170 0.162 0.000 0.310 630 I C -2.895 173.271 176.117 0.081 0.000 1.087 630 I CA -3.264 58.097 61.300 0.101 0.000 1.017 630 I CB 2.109 40.199 38.000 0.149 0.000 1.226 630 I HN 0.237 nan 8.210 nan 0.000 0.443 631 P HA 0.130 nan 4.420 nan 0.000 0.264 631 P C -2.238 174.932 177.300 -0.217 0.000 1.193 631 P CA -0.631 62.412 63.100 -0.096 0.000 0.763 631 P CB 0.001 31.653 31.700 -0.081 0.000 0.810 632 P HA 0.162 nan 4.420 nan 0.000 0.282 632 P C 0.616 177.632 177.300 -0.472 0.000 1.327 632 P CA 0.121 62.882 63.100 -0.564 0.000 0.949 632 P CB 0.253 31.394 31.700 -0.931 0.000 1.445 633 F N 0.998 120.871 119.950 -0.128 0.000 2.502 633 F HA 0.201 4.825 4.527 0.162 0.000 0.298 633 F C 1.494 177.285 175.800 -0.014 0.000 1.111 633 F CA 0.586 58.562 58.000 -0.041 0.000 1.445 633 F CB -0.370 38.559 39.000 -0.117 0.000 1.081 633 F HN -0.034 nan 8.300 nan 0.000 0.558 634 A N -0.905 121.975 122.820 0.099 0.000 2.593 634 A HA 0.693 5.110 4.320 0.162 0.000 0.290 634 A C 0.034 177.646 177.584 0.047 0.000 1.126 634 A CA -0.340 51.748 52.037 0.085 0.000 0.695 634 A CB -0.010 19.046 19.000 0.094 0.000 1.290 634 A HN 0.098 nan 8.150 nan 0.000 0.414 635 G N -0.552 108.279 108.800 0.052 0.000 2.606 635 G HA2 0.461 4.518 3.960 0.162 0.000 0.252 635 G HA3 0.461 4.518 3.960 0.162 0.000 0.252 635 G C 0.080 175.000 174.900 0.033 0.000 1.206 635 G CA 0.112 45.233 45.100 0.034 0.000 0.861 635 G HN 0.946 nan 8.290 nan 0.000 0.561 636 E N -0.672 119.538 120.200 0.016 0.000 2.409 636 E HA 0.147 4.594 4.350 0.162 0.000 0.257 636 E C 0.447 177.058 176.600 0.018 0.000 1.150 636 E CA 0.370 56.778 56.400 0.013 0.000 0.942 636 E CB 0.399 30.098 29.700 -0.001 0.000 0.979 636 E HN 0.579 nan 8.360 nan 0.000 0.447 637 D N 1.250 121.654 120.400 0.007 0.000 2.701 637 D HA -0.306 4.431 4.640 0.162 0.000 0.235 637 D C -0.892 175.424 176.300 0.027 0.000 1.155 637 D CA 1.084 55.082 54.000 -0.003 0.000 0.649 637 D CB -1.584 39.214 40.800 -0.004 0.000 1.050 637 D HN 0.537 nan 8.370 nan 0.000 0.425 638 N N 0.188 118.924 118.700 0.060 0.000 2.452 638 N HA 0.076 4.913 4.740 0.162 0.000 0.266 638 N C -1.331 174.305 175.510 0.211 0.000 1.209 638 N CA -0.789 52.337 53.050 0.126 0.000 0.929 638 N CB 0.900 39.482 38.487 0.159 0.000 1.063 638 N HN 0.108 nan 8.380 nan 0.000 0.472 639 P HA 0.038 nan 4.420 nan 0.000 0.251 639 P C 0.009 177.456 177.300 0.245 0.000 1.223 639 P CA 0.082 63.323 63.100 0.236 0.000 0.796 639 P CB 0.429 32.204 31.700 0.126 0.000 1.068 640 V N 2.608 122.635 119.914 0.188 0.000 2.479 640 V HA 0.028 4.245 4.120 0.162 0.000 0.281 640 V C 0.961 177.015 176.094 -0.068 0.000 1.031 640 V CA 0.220 62.574 62.300 0.089 0.000 1.038 640 V CB 0.144 32.035 31.823 0.114 0.000 0.981 640 V HN -0.016 nan 8.190 nan 0.000 0.478 641 I N 4.688 125.172 120.570 -0.145 0.000 2.315 641 I HA 0.273 4.540 4.170 0.162 0.000 0.291 641 I C 0.374 176.463 176.117 -0.047 0.000 1.006 641 I CA -0.010 61.119 61.300 -0.285 0.000 1.265 641 I CB 1.409 39.284 38.000 -0.207 0.000 1.387 641 I HN 0.521 nan 8.210 nan 0.000 0.475 642 T N 5.840 120.415 114.554 0.034 0.000 2.743 642 T HA 0.393 4.840 4.350 0.162 0.000 0.292 642 T C 0.776 175.486 174.700 0.018 0.000 0.972 642 T CA -0.409 61.747 62.100 0.094 0.000 0.967 642 T CB 1.759 70.774 68.868 0.245 0.000 0.926 642 T HN 0.769 nan 8.240 nan 0.000 0.459 643 A N 3.722 126.554 122.820 0.019 0.000 1.942 643 A HA 0.492 4.909 4.320 0.162 0.000 0.209 643 A C 0.632 178.199 177.584 -0.027 0.000 1.214 643 A CA 0.320 52.359 52.037 0.003 0.000 0.686 643 A CB 0.487 19.496 19.000 0.016 0.000 0.871 643 A HN 0.583 nan 8.150 nan 0.000 0.460 644 V N -0.523 119.393 119.914 0.003 0.000 2.483 644 V HA 0.308 4.525 4.120 0.162 0.000 0.297 644 V C -1.226 174.923 176.094 0.091 0.000 1.027 644 V CA -0.654 61.651 62.300 0.008 0.000 0.855 644 V CB 1.457 33.274 31.823 -0.010 0.000 0.995 644 V HN 0.527 nan 8.190 nan 0.000 0.424 645 W N 4.398 125.632 121.300 -0.111 0.000 2.322 645 W HA 0.555 5.312 4.660 0.161 0.000 0.307 645 W C 0.151 176.662 176.519 -0.013 0.000 1.220 645 W CA -0.602 56.727 57.345 -0.026 0.000 1.210 645 W CB 1.312 30.759 29.460 -0.021 0.000 1.223 645 W HN 0.549 nan 8.180 nan 0.000 0.511 646 Q N 4.299 123.837 119.800 -0.437 0.000 2.490 646 Q HA 0.391 4.828 4.340 0.162 0.000 0.226 646 Q C 0.278 175.607 176.000 -1.118 0.000 1.132 646 Q CA -0.019 55.457 55.803 -0.546 0.000 0.928 646 Q CB 0.572 29.149 28.738 -0.268 0.000 1.299 646 Q HN 0.573 nan 8.270 nan 0.000 0.528 647 G N 4.094 112.050 108.800 -1.407 0.000 2.353 647 G HA2 0.451 4.508 3.960 0.162 0.000 0.284 647 G HA3 0.451 4.508 3.960 0.162 0.000 0.284 647 G C -2.583 171.894 174.900 -0.705 0.000 1.172 647 G CA -1.230 42.810 45.100 -1.766 0.000 0.854 647 G HN 0.416 nan 8.290 nan 0.000 0.485 648 P HA 0.268 nan 4.420 nan 0.000 0.272 648 P C 0.241 177.427 177.300 -0.190 0.000 1.230 648 P CA -0.149 62.826 63.100 -0.209 0.000 0.788 648 P CB 0.795 32.453 31.700 -0.069 0.000 0.949 649 A N 2.357 125.021 122.820 -0.261 0.000 2.483 649 A HA 0.166 4.583 4.320 0.162 0.000 0.238 649 A C 0.208 177.540 177.584 -0.421 0.000 1.070 649 A CA 0.247 52.099 52.037 -0.308 0.000 0.770 649 A CB -1.248 17.547 19.000 -0.342 0.000 1.008 649 A HN 0.961 nan 8.150 nan 0.000 0.497 650 H N -1.070 118.084 119.070 0.139 0.000 2.484 650 H HA -0.050 4.603 4.556 0.162 0.000 0.321 650 H C 0.171 175.808 175.328 0.514 0.000 1.065 650 H CA 0.784 57.066 56.048 0.390 0.000 1.118 650 H CB -1.878 28.154 29.762 0.450 0.000 1.511 650 H HN 1.307 nan 8.280 nan 0.000 0.403 651 G N -0.667 108.450 108.800 0.527 0.000 2.798 651 G HA2 0.735 4.792 3.960 0.162 0.000 0.286 651 G HA3 0.735 4.792 3.960 0.162 0.000 0.286 651 G C -0.687 174.575 174.900 0.603 0.000 1.389 651 G CA -0.937 44.428 45.100 0.441 0.000 0.894 651 G HN 0.869 nan 8.290 nan 0.000 0.488 652 L N -2.545 118.951 121.223 0.455 0.000 2.720 652 L HA 0.911 5.348 4.340 0.162 0.000 0.261 652 L C -1.571 175.208 176.870 -0.152 0.000 1.046 652 L CA -0.965 54.053 54.840 0.298 0.000 0.886 652 L CB 1.716 43.944 42.059 0.283 0.000 1.493 652 L HN 0.932 nan 8.230 nan 0.000 0.407 653 C N 1.541 120.407 119.300 -0.723 0.000 3.082 653 C HA 0.807 5.364 4.460 0.162 0.000 0.324 653 C C -0.883 173.397 174.990 -1.182 0.000 1.210 653 C CA 0.078 58.296 59.018 -1.332 0.000 1.366 653 C CB 1.500 28.626 27.740 -1.023 0.000 1.756 653 C HN 1.014 nan 8.230 nan 0.000 0.485 654 V N 2.542 121.697 119.914 -1.266 0.000 2.555 654 V HA 0.888 5.105 4.120 0.162 0.000 0.302 654 V C -1.008 174.803 176.094 -0.471 0.000 1.038 654 V CA -0.341 61.670 62.300 -0.482 0.000 0.887 654 V CB 1.409 33.197 31.823 -0.058 0.000 0.991 654 V HN 0.738 nan 8.190 nan 0.000 0.434 655 F N 2.109 122.053 119.950 -0.010 0.000 2.618 655 F HA 0.821 5.445 4.527 0.162 0.000 0.332 655 F C 0.151 176.200 175.800 0.416 0.000 1.061 655 F CA -0.675 57.437 58.000 0.187 0.000 0.974 655 F CB 1.979 41.066 39.000 0.144 0.000 1.310 655 F HN 0.708 nan 8.300 nan 0.000 0.491 656 Q N 1.071 121.257 119.800 0.644 0.000 2.377 656 Q HA 0.558 4.995 4.340 0.162 0.000 0.279 656 Q C -1.335 174.675 176.000 0.016 0.000 1.049 656 Q CA -0.947 55.030 55.803 0.289 0.000 0.825 656 Q CB 3.120 31.923 28.738 0.107 0.000 1.401 656 Q HN 0.862 nan 8.270 nan 0.000 0.404 657 R N 0.000 120.200 120.500 -0.500 0.000 2.786 657 R HA 0.000 4.437 4.340 0.162 0.000 0.208 657 R CA 0.000 55.698 56.100 -0.670 0.000 0.921 657 R CB 0.000 29.427 30.300 -1.455 0.000 0.687 657 R HN 0.000 nan 8.270 nan 0.000 0.535